Conventional wisdom suggests that neural network predictions tend to be unpredictable and overconfident when faced with out-of-distribution (OOD) inputs. Our work reassesses this assumption for neural networks with high-dimensional inputs. Rather than extrapolating in arbitrary ways, we observe that neural network predictions often tend towards a constant value as input data becomes increasingly OOD. Moreover, we find that this value often closely approximates the optimal constant solution (OCS), i.e., the prediction that minimizes the average loss over the training data without observing the input. We present results showing this phenomenon across 8 datasets with different distributional shifts (including CIFAR10-C and ImageNet-R, S), different loss functions (cross entropy, MSE, and Gaussian NLL), and different architectures (CNNs and transformers). Furthermore, we present an explanation for this behavior, which we first validate empirically and then study theoretically in a simplified setting involving deep homogeneous networks with ReLU activations. Finally, we show how one can leverage our insights in practice to enable risk-sensitive decision-making in the presence of OOD inputs.

State-space models (SSMs) have recently emerged as a framework for learning long-range sequence tasks. An example is the structured state-space sequence (S4) layer, which uses the diagonal-plus-low-rank structure of the HiPPO initialization framework. However, the complicated structure of the S4 layer poses challenges; and, in an effort to address these challenges, models such as S4D and S5 have considered a purely diagonal structure. This choice simplifies the implementation, improves computational efficiency, and allows channel communication. However, diagonalizing the HiPPO framework is itself an ill-posed problem. In this paper, we propose a general solution for this and related ill-posed diagonalization problems in machine learning. We introduce a generic, backward-stable ``perturb-then-diagonalize'' (PTD) methodology, which is based on the pseudospectral theory of non-normal operators, and which may be interpreted as the approximate diagonalization of the non-normal matrices defining SSMs. Based on this, we introduce the S4-PTD and S5-PTD models. Through theoretical analysis of the transfer functions of different initialization schemes, we demonstrate that the S4-PTD/S5-PTD initialization strongly converges to the HiPPO framework, while the S4D/S5 initialization only achieves weak convergences. As a result, our new models show resilience to Fourier-mode noise-perturbed inputs, a crucial property not achieved by the S4D/S5 models. In addition to improved robustness, our S5-PTD model averages 87.6% accuracy on the Long-Range Arena benchmark, demonstrating that the PTD methodology helps to improve the accuracy of deep learning models.

The disparity in accuracy between classes in standard training is amplified during adversarial training, a phenomenon termed the robust fairness problem. Existing methodologies aimed to enhance robust fairness by sacrificing the model's performance on easier classes in order to improve its performance on harder ones. However, we observe that under adversarial attacks, the majority of the model's predictions for samples from the worst class are biased towards classes similar to the worst class, rather than towards the easy classes. Through theoretical and empirical analysis, we demonstrate that robust fairness deteriorates as the distance between classes decreases. Motivated by these insights, we introduce the Distance-Aware Fair Adversarial Training (DAFA) methodology, which addresses robust fairness by taking into account the similarities between classes. Specifically, our method assigns distinct adversarial margins and loss weights to each class and adjusts them to encourage a trade-off in robustness among similar classes. Experimental results across various datasets demonstrate that our method not only maintains average robust accuracy but also significantly improves the worst robust accuracy, indicating a marked improvement in robust fairness compared to existing methods.

We describe a framework for using natural language to design state abstractions for imitation learning. Generalizable policy learning in high-dimensional observation spaces is facilitated by well-designed state representations, which can surface important features of an environment and hide irrelevant ones. Today, these state representations must often be manually specified, or derived from other labor-intensive labeling procedures. Our method, LGA (\textit{language-guided abstraction}), uses a combination of natural language supervision and background knowledge from language models (LMs) to automatically build state representations tailored to unseen tasks. In LGA, a user first provides a (possibly incomplete) description of a target task in natural language; next, a pre-trained LM translates this task description into a state abstraction function that masks out irrelevant features; finally, an imitation policy is trained using a small number of demonstrations and LGA-generated abstract states. Experiments on simulated robotic tasks show that LGA yields state abstractions similar to human-designed ones, but in a fraction of the time, and that these abstractions improve generalization and robustness in the presence of spurious correlations and ambiguous specifications. We illustrate the utility of the learned abstractions on mobile manipulation tasks with a Spot robot.

Learning expressive stochastic policies instead of deterministic ones has been proposed to achieve better stability, sample complexity and robustness. Notably, in Maximum Entropy reinforcement learning (MaxEnt RL), the policy is modeled as an expressive energy-based model (EBM) over the Q-values. However, this formulation requires the estimation of the entropy of such EBM distributions which is an open problem. To address this, previous MaxEnt RL methods either implicitly estimate the entropy, yielding high computational complexity and variance (SQL), or follow a variational inference approach that fits simplified distributions (e.g., Gaussian) for tractability (SAC). We propose Sein Soft Actor-Critic (S$^2$AC), a MaxEnt RL algorithm that learns expressive policies without compromising efficiency. S$^2$AC uses parameterized Stein Variational Gradient Descent (SVGD) as the underlying policy. At the core of S$^2$AC is a new solution to the above open challenge of entropy computation for EBMs. Our entropy formula is computationally efficient and only depends on first-order derivatives and vector products. Empirical results show that S$^2$AC yields more optimal solutions to the MaxEnt objective than SQL and SAC in the multi-goal environment, and outperforms SAC and SQL on the MuJoCo benchmark. Our code is available at: https://anonymous.4open.science/r/Stein-Soft-Actor-Critic/

This paper considers the problem of learning the reward function and constraints of an expert from few demonstrations. This problem can be considered as a meta-learning problem where we first learn meta-priors over reward functions and constraints from other distinct but related tasks and then adapt the learned meta-priors to new tasks from only few expert demonstrations. We formulate a bi-level optimization problem where the upper level aims to learn a meta-prior over reward functions and the lower level is to learn a meta-prior over constraints. We propose a novel algorithm to solve this problem and formally guarantee that the algorithm reaches the set of $\epsilon$-stationary points at the iteration complexity $O(\frac{1}{\epsilon^2})$. We also quantify the generalization error to an arbitrary new task. Experiments are used to validate that the learned meta-priors can adapt to new tasks with good performance from only few demonstrations.

Large-scale vision-language pre-trained models have shown promising transferability to various downstream tasks. As the size of these foundation models and the number of downstream tasks grow, the standard full fine-tuning paradigm becomes unsustainable due to heavy computational and storage costs. This paper proposes UniAdapter, which unifies unimodal and multimodal adapters for parameter-efficient cross-modal adaptation on pre-trained vision-language models. Specifically, adapters are distributed to different modalities and their interactions, with the total number of tunable parameters reduced by partial weight sharing. The unified and knowledge-sharing design enables powerful cross-modal representations that can benefit various downstream tasks, requiring only 1.0%-2.0% tunable parameters of the pre-trained model. Extensive experiments on 7 cross-modal downstream benchmarks (including video-text retrieval, image-text retrieval, VideoQA, VQA and Caption) show that in most cases, UniAdapter not only outperforms the state-of-the-arts, but even beats the full fine-tuning strategy. Particularly, on the MSRVTT retrieval task, UniAdapter achieves 49.7% recall@1 with 2.2% model parameters, outperforming the latest competitors by 2.0%. The code and models are available at https://github.com/UniAdapter/UniAdapter.

Despite the recent advances in the field of computational Schrodinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., $k$-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schrodinger potentials with sum-exp quadratic functions and (b) viewing the log-Schrodinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs.

Pre-training on large-scale datasets and then fine-tuning on downstream tasks have become a standard practice in deep learning. However, pre-training data often contain label noise that may adversely affect the generalization of the model. This paper aims to understand the nature of noise in pre-training datasets and to mitigate its impact on downstream tasks. More specifically, through extensive experiments of supervised pre-training models on synthetic noisy ImageNet-1K and YFCC15M datasets, we demonstrate that while slight noise in pre-training can benefit in-domain (ID) transfer performance, where the training and testing data share the same distribution, it always deteriorates out-of-domain (OOD) performance, where training and testing data distribution are different. We empirically verify that the reason behind is noise in pre-training shapes the feature space differently. We then propose a lightweight black-box tuning method (NMTune) to affine the feature space to mitigate the malignant effect of noise and improve generalization on both ID and OOD tasks, considering one may not be able to fully fine-tune or even access the pre-trained models. We conduct practical experiments on popular vision and language models that are pre-trained on noisy data for evaluation of our approach. Our analysis and results show the importance of this interesting and novel research direction, which we term Noisy Model Learning.

Robust generalization is a major challenge in deep learning, particularly when the number of trainable parameters is very large. In general, it is very difficult to know if the network has memorized a particular set of examples or understood the underlying rule (or both). Motivated by this challenge, we study an interpretable model where generalizing representations are understood analytically, and are easily distinguishable from the memorizing ones. Namely, we consider two-layer neural networks trained on modular arithmetic tasks where ($\\xi \\cdot 100\\%$) of labels are corrupted (*i.e.* some results of the modular operations in the training set are incorrect). We show that (i) it is possible for the network to memorize the corrupted labels *and* achieve $100\\%$ generalization at the same time; (ii) the memorizing neurons can be identified and pruned, lowering the accuracy on corrupted data and improving the accuracy on uncorrupted data; (iii) regularization methods such as weight decay, dropout and BatchNorm force the network to ignore the corrupted data during optimization, and achieve $100\\%$ accuracy on the uncorrupted dataset; and (iv) the effect of these regularization methods is ("mechanistically") interpretable: weight decay and dropout force all the neurons to learn generalizing representations, while BatchNorm de-amplifies the output of memorizing neurons and amplifies the output of the generalizing ones. Finally, we show that in the presence of regularization, the training dynamics involves two consecutive stages: first, the network undergoes the *grokking* dynamics reaching high train *and* test accuracy; second, it unlearns the memorizing representations, where train accuracy suddenly jumps from $100\\%$ to $100 (1-\\xi)\\%$.

Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple sites/institutions to study weak but relevant associations between images and disease incidence. Such data often manifest shifts and imbalances in covariates (secondary non-imaging data). These issues are well-studied for classical models, but the ideas simply do not apply to overparameterized DNN models. Consequently, recent work has shown how strategies from fairness and invariant representation learning provides a meaningful starting point, but the current repertoire of methods remains limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how our style of formulation offers a unified perspective on at least 5+ distinct problem settings in vision, from self-supervised learningto matching problems in 3D reconstruction.

The current advancements in open domain text generation have been spearheaded by Transformer-based large language models. Leveraging efficient parallelization and vast training datasets, these models achieve unparalleled text generation capabilities. Even so, current models are known to suffer from deficiencies such as repetitive texts, looping issues, and lack of robustness. While adversarial training through generative adversarial networks (GAN) is a proposed solution, earlier research in this direction has predominantly focused on older architectures, or narrow tasks. As a result, this approach is not yet compatible with modern language models for open-ended text generation, leading to diminished interest within the broader research community. We propose a computationally efficient GAN approach for sequential data that utilizes the parallelization capabilities of Transformer models. Our method revolves around generating multiple branching sequences from each training sample, while also incorporating the typical next-step prediction loss on the original data. In this way, we achieve a dense reward and loss signal for both the generator and the discriminator, resulting in a stable training dynamic. We apply our training method to pre-trained language models, using data from their original training set but less than 0.01% of the available data. A comprehensive human evaluation shows that our method significantly improves the quality of texts generated by the model while avoiding the previously reported sparsity problems of GAN approaches. Even our smaller models outperform larger original baseline models with more than 16 times the number of parameters. Finally, we corroborate previous claims that perplexity on held-out data is not a sufficient metric for measuring the quality of generated texts.

Given a sequence of functions $f_1,\ldots,f_n$ with $f_i:\mathcal{D}\mapsto \mathbb{R}$, finite-sum minimization seeks a point ${x}^\star \in \mathcal{D}$ minimizing $\sum_{j=1}^nf_j(x)/n$. In this work, we propose a key twist into the finite-sum minimization, dubbed as *instance-optimal finite-sum minimization*, that asks for a sequence of points $x_1^\star, \ldots, x_n^\star \in D$ such that each ${x}^\star_i \in D$ minimizes the prefix-sum $\sum_{j=1}^if_j(x)/i$. Assuming that each prefix-sum is strongly convex, we develop a first-order stochastic instance optimal gradient method $\mathrm{SIOPT}-\mathrm{Grad}$ producing an $\epsilon$-optimal sequence with $\tilde{\mathcal{O}}(n/\epsilon^{1/3} + 1/\sqrt{\epsilon})$ overall *first-order oracles* (FO). An FO corresponds to the computation of a single gradient $\nabla f_j(x)$ at a given $x \in \mathcal{D}$ for some $j \in [n]$. Our approach significantly improves upon the $\mathcal{O}(n/\epsilon)$ FOs that $\mathrm{StochasticGradientDescent}$ requires and the $\mathcal{O}(n^2 \log (1/\epsilon))$ FOs that state-of-the-art variance reduction methods such as $\mathrm{Katyusha}$ require. We also prove that there is no natural first-order method with $\mathcal{O}\left(n/\epsilon^\alpha\right)$ gradient complexity for $\alpha < 1/4$, establishing that the first-order complexity of our method is nearly tight.

We introduce a new challenge to test the STEM skills of neural models. Unlike existing datasets, our dataset requires the understanding of multimodal vision-language information. Our dataset features one of the largest and most comprehensive datasets for the challenge. It includes 448 skills and 1,073,146 questions spanning all STEM (science, technology, engineering, math) subjects. Compared to existing datasets that often focus on examining expert-level ability, our dataset includes fundamental skills and questions designed based on the K-12 curriculum. We also add state-of-the-art foundation models such as CLIP and ChatGPT to our dataset. Results show that the recent model advances only help master a very limited number of lower grade-level skills (2.5% in the third grade) in our dataset. In fact, these models are still well below (averaging 54.7%) the performance of elementary students, not to mention near expert-level performance. To understand and increase the performance on our dataset, we teach the models on a training split of our dataset. Even though we observe improved performance, the model performance remains relatively low compared to average elementary students. To solve STEM problems, we will need novel algorithmic innovations from the community. The code and dataset are available at https://anonymous.4open.science/r/STEM-Dataset-ICLR-2024 and will be made publicly available.

Bilevel optimization problems appear in many widely used machine learning tasks. Bilevel optimization models are sensitive to small changes, and bilevel training tasks typically involve limited datasets. Therefore, overfitting is a common challenge in bilevel training tasks. This paper considers the use of dropout to address this problem. We propose a bilevel optimization model that depends on the distribution of dropout masks. We investigate how the dropout rate affects the hypergradient of this model. We propose a dropout bilevel method to solve the dropout bilevel optimization model. Subsequently, we analyze the resulting dropout bilevel method from an optimization perspective. Analyzing the optimization properties of methods with dropout is essential because it provides convergence guarantees for methods using dropout. However, there has been limited investigation in this research direction. We provide the complexity of the resulting dropout bilevel method in terms of reaching an $\epsilon$ stationary point of the proposed stochastic bilevel model. Empirically, we demonstrate that overfitting occurs in data cleaning problems, and the method proposed in this work mitigates this issue.

In this paper, we extend mean-field Langevin dynamics to minimax optimization over probability distributions for the first time with symmetric and provably convergent updates. We propose \emph{mean-field Langevin averaged gradient} (MFL-AG), a single-loop algorithm that implements gradient descent ascent in the distribution spaces with a novel weighted averaging, and establish average-iterate convergence to the mixed Nash equilibrium. We also study both time and particle discretization regimes and prove a new uniform-in-time propagation of chaos result which accounts for the dependency of the particle interactions on all previous distributions. Furthermore, we propose \emph{mean-field Langevin anchored best response} (MFL-ABR), a symmetric double-loop algorithm based on best response dynamics with linear last-iterate convergence. Finally, we study applications to zero-sum Markov games and conduct simulations demonstrating long-term optimality.

In this paper, we present TOSS, which introduces text to the task of novel view synthesis (NVS) from just a single RGB image. While Zero123 has demonstrated impressive zero-shot open-set NVS capabilities, it treats NVS as a pure image-to-image translation problem. This approach suffers from the challengingly under-constrained nature of single-view NVS: the process lacks means of explicit user control and often result in implausible NVS generations.To address this limitation, TOSS uses text as high-level semantic information to constrain the NVS solution space.TOSS fine-tunes text-to-image Stable Diffusion pre-trained on large-scale text-image pairs and introduces modules specifically tailored to image and camera pose conditioning, as well as dedicated training for pose correctness and preservation of fine details. Comprehensive experiments are conducted with results showing that our proposed TOSS outperforms Zero123 with higher-quality NVS results and faster convergence. We further support these results with comprehensive ablations that underscore the effectiveness and potential of the introduced semantic guidance and architecture design.

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their expansive application in sensitive domains requires a comprehensive understanding of their decision-making processes --- necessitating a framework for GNN explainability. An explanation function for GNNs takes a pre-trained GNN along with a graph as input, to produce a `sufficient statistic' subgraph with respect to the graph label. A main challenge in studying GNN explainability is to provide fidelity measures that evaluate the performance of these explanation functions. This paper studies this foundational challenge, spotlighting the inherent limitations of prevailing fidelity metrics, including $Fid_+$, $Fid_-$, and $Fid_\Delta$. Specifically, a formal, information-theoretic definition of explainability is introduced and it is shown that existing metrics often fail to align with this definition across various statistical scenarios. The reason is due to potential distribution shifts when subgraphs are removed in computing these fidelity measures. Subsequently, a robust class of fidelity measures are introduced, and it is shown analytically that they are resilient to distribution shift issues and are applicable in a wide range of scenarios. Extensive empirical analysis on both synthetic and real datasets are provided to illustrate that the proposed metrics are more coherent with gold standard metrics.

We explore how continued pre-training on domain-specific corpora influences large language models, revealing that training on the raw corpora endows the model with domain knowledge, but drastically hurts its prompting ability for question answering. Taken inspiration from human learning via reading comprehension--practice after reading improves the ability to answer questions based on the learned knowledge--we propose a simple method for transforming raw corpora into reading comprehension texts. Each raw text is enriched with a series of tasks related to its content. Our method, highly scalable and applicable to any pre-training corpora, consistently enhances performance across various tasks in three different domains: biomedicine, finance, and law. Notably, our 7B language model achieves competitive performance with domain-specific models of much larger scales, such as BloombergGPT-50B. Furthermore, we demonstrate that domain-specific reading comprehension texts can improve the model's performance even on general benchmarks, showing the potential to develop a general model across even more domains. Our model, code, and data are available at https://github.com/microsoft/LMOps.

Recent releases of Large Language Models (LLMs), e.g. ChatGPT, are astonishing at generating human-like texts, but they may impact the authenticity of texts. Previous works proposed methods to detect these AI-generated texts, including simple ML classifiers, pretrained-model-based zero-shot methods, and finetuned language classification models. However, mainstream detectors always fail on short texts, like SMSes, Tweets, and reviews. In this paper, a Multiscale Positive-Unlabeled (MPU) training framework is proposed to address the difficulty of short-text detection without sacrificing long-texts. Firstly, we acknowledge the human-resemblance property of short machine texts, and rephrase AI text detection as a partial Positive-Unlabeled (PU) problem by regarding these short machine texts as partially "unlabeled". Then in this PU context, we propose the length-sensitive Multiscale PU Loss, where a recurrent model in abstraction is used to estimate positive priors of scale-variant corpora. Additionally, we introduce a Text Multiscaling module to enrich training corpora. Experiments show that our MPU method augments detection performance on long AI-generated texts, and significantly improves short-text detection of language model detectors. Language Models trained with MPU could outcompete existing detectors on various short-text and long-text detection benchmarks. The codes are available at https://github.com/mindspore-lab/mindone/tree/master/examples/detectchatgpt and https://github.com/YuchuanTian/AIGCtext_detector.

The genome sequence contains the blueprint for governing cellular processes. While the availability of genomes has vastly increased over the last decades, experimental annotation of the various functional, non-coding and regulatory elements encoded in the DNA sequence remains both expensive and challenging. This has sparked interest in unsupervised language modeling of genomic DNA, a paradigm that has seen great success for protein sequence data. Although various DNA language models have been proposed, evaluation tasks often differ between individual works, and might not fully recapitulate the fundamental challenges of genome annotation, including the length, scale and sparsity of the data. In this study, we introduce BEND, a BENchmark for DNA language models, featuring a collection of realistic and biologically meaningful downstream tasks defined on the human genome. We find that embeddings from current DNA LMs can approach performance of expert methods on some tasks, but only capture limited information about long-range features. BEND is available at https://anonymous.4open.science/r/BEND-8C42/README.md

One-class classification (OCC) involves predicting whether a new data is normal or anomalous based solely on the data from a single class during training. Various attempts have been made to learn suitable representations for OCC within a self-supervised framework. Notably, discriminative methods that use geometric visual transformations, such as rotation, to generate pseudo-anomaly samples have exhibited impressive detection performance. Although rotation is commonly viewed as a distribution-shifting transformation and is widely used in the literature, its effectiveness remains a mystery. In this study, we make a surprising observation: there exists a strong linear relationship (Pearson's Correlation, $r > 0.9$) between the accuracy of rotation prediction and the performance of OCC. This suggests that a classifier that effectively distinguishes different rotations is more likely to excel in OCC, and vice versa. The root cause of this phenomenon can be attributed to the transformation bias in the dataset, where representations learned from transformations already present in the dataset tend to be less effective, making it essential to accurately estimate the transformation distribution before utilizing pretext tasks involving these transformations for reliable self-supervised representation learning. To the end, we propose a novel two-stage method to estimate the transformation distribution within the dataset. In the first stage, we learn general representations through standard contrastive pre-training. In the second stage, we select potentially semantics-preserving samples from the entire augmented dataset, which includes all rotations, by employing density matching with the provided reference distribution. By sorting samples based on semantics-preserving versus shifting transformations, we achieve improved performance on OCC benchmarks.

Synthetic training data has gained prominence in numerous learning tasks and scenarios, offering advantages such as dataset augmentation, generalization evaluation, and privacy preservation. Despite these benefits, the efficiency of synthetic data generated by current methodologies remains inferior when training advanced deep models exclusively, limiting its practical utility. To address this challenge, we analyze the principles underlying training data synthesis for supervised learning and elucidate a principled theoretical framework from the distribution-matching perspective that explicates the mechanisms governing synthesis efficacy. Through extensive experiments, we demonstrate the effectiveness of our synthetic data across diverse image classification tasks, both as a replacement for and augmentation to real datasets, while also benefits challenging tasks such as out-of-distribution generalization and privacy preservation.

Motivated by a recent neuroscientific hypothesis, some theoretical studies have accounted for neural cognitive maps in the rodent hippocampal formation as a representation of the general relational structure across task environments. However, despite their remarkable results, it is unclear whether their account can be extended to more general settings beyond spatial random-walk tasks in 2D environments. To address this question, we construct a novel cognitive model that performs memory-based relational decision-making tasks, inspired by previous human studies, for learning abstract structures in non-spatial relations. Building on previous approaches of modular architecture, we develop a learning algorithm that performs reward-guided search for representation of abstract relations, while dynamically maintaining their binding to concrete entities using our specific memory mechanism enabling content replacement. Our experiments show (i) the capability of our model to capture relational structures that can generalize over new domains with unseen entities, (ii) the difficulty of our task that leads previous models, including Neural Turing Machine and vanilla Transformer, to complete failure, and (iii) the similarity of performance and internal representations of our model to recent human behavioral and fMRI experimental data in the human hippocampal formation.

In competitive two-agent environments, deep reinforcement learning (RL) methods like Policy Space Response Oracles (PSRO) often increase exploitability between iterations, which is problematic when training in large games. To address this issue, we introduce anytime double oracle (ADO), an algorithm that ensures exploitability does not increase between iterations, and its approximate extensive-form version, anytime PSRO (APSRO). ADO converges to a Nash equilibrium while iteratively reducing exploitability. However, convergence in these algorithms may require adding all of a game's deterministic policies. To improve this, we propose Self-Play PSRO (SP-PSRO), which incorporates an approximately optimal stochastic policy into the population in each iteration. APSRO and SP-PSRO demonstrate lower exploitability and near-monotonic exploitability reduction in games like Leduc poker and Liar's Dice. Empirically, SP-PSRO often converges much faster than APSRO and PSRO, requiring only a few iterations in many games.

While dataset condensation effectively enhances training efficiency, its application in on-device scenarios brings unique challenges. 1) Due to the fluctuating computational resources of these devices, there's a demand for a flexible dataset size that diverges from a predefined size. 2) The limited computational power on devices often prevents additional condensation operations. These two challenges connect to the "subset degradation problem" in traditional dataset condensation: a subset from a larger condensed dataset is often unrepresentative compared to directly condensing the whole dataset to that smaller size. In this paper, we propose Multisize Dataset Condensation (MDC) by compressing N condensation processes into a single condensation process to obtain datasets with multiple sizes. Specifically, we introduce an "adaptive subset loss" on top of the basic condensation loss to mitigate the "subset degradation problem". Our MDC method offers several benefits: 1) No additional condensation process is required; 2) reduced storage requirement by reusing condensed images. Experiments validate our findings on networks including ConvNet, ResNet and DenseNet, and datasets including SVHN, CIFAR-10, CIFAR-100 and ImageNet. For example, we achieved 6.40% average accuracy gains on condensing CIFAR-10 to ten images per class.

Multi-objective optimization (MOO) has become an influential framework for various machine learning problems, including reinforcement learning and multi-task learning. In this paper, we study the black-box multi-objective optimization problem, where we aim to optimize multiple potentially conflicting objectives with function queries only. To address this challenging problem and find a Pareto optimal solution or the Pareto stationary solution, we propose a novel adaptive stochastic gradient algorithm for black-box MOO, called ASMG. Specifically, we use the stochastic gradient approximation method to obtain the gradient for the distribution parameters of the Gaussian smoothed MOO with function queries only. Subsequently, an adaptive weight is employed to aggregate all stochastic gradients to optimize all objective functions effectively. Theoretically, we explicitly provide the connection between the original MOO problem and the corresponding Gaussian smoothed MOO problem and prove the convergence rate for the proposed ASMG algorithm in both convex and non-convex scenarios.Empirically, the proposed ASMG method achieves competitive performance on multiple numerical benchmark problems. Additionally, the state-of-the-art performance on the black-box multi-task learning problem demonstrates the effectiveness of the proposed ASMG method.

Branch-and-bound (B\&B) has long been favored for tackling complex Mixed Integer Programming (MIP) problems, where the choice of branching strategy plays a pivotal role. Recently, Imitation Learning (IL)-based policies have emerged as potent alternatives to traditional rule-based approaches. However, it is nontrivial of acquiring high-quality training samples, and IL often converges to suboptimal variable choices for branching, restricting the overall performance. In response to these challenges, we propose a novel hybrid online and offline reinforcement learning (RL) approach to enhance the branching policy by cost-effective training sample augmentation. In online phase, we train an online RL agent to dynamically decide the sample generation processes, drawing from either the learning-based policy or the expert policy. The objective here is to strike an optimal balance between the exploration and exploitation of the sample generation process. In offline phase, a value function is trained to fit the cumulative reward for each decision and to filter the samples with high cumulative returns. This dual-purpose function not only reduces training complexity but also enhances the quality of the samples. To assess the efficacy of our proposed data augmentation mechanism, we conduct comprehensive evaluations across a range of MIP problems. The results consistently show that our method excels in making superior branching decisions compared to state-of-the-art learning-based models and the open-source solver SCIP. Notably, it even often outperforms the commercial solver Gurobi.

Generative pre-trained models have demonstrated remarkable effectiveness in language and vision domains by learning useful representations. In this paper, we extend the scope of this effectiveness by showing that visual robot manipulation can significantly benefit from large-scale video generative pre-training. We introduce GR-1, a straightforward GPT-style model designed for multi-task language-conditioned visual robot manipulation. GR-1 takes as inputs a language instruction, a sequence of observation images, and a sequence of robot states. It predicts robot actions as well as future images in an end-to-end manner. Thanks to a flexible design, GR-1 can be seamlessly finetuned on robot data after pre-trained on a large-scale video dataset. We perform extensive experiments on the challenging CALVIN benchmark and a real robot. On CALVIN benchmark, our method outperforms state-of-the-art baseline methods and improves the success rate from 88.9% to 94.9%. When trained on 10% data of the full dataset, GR-1 achieves a success rate of 77.8%, while the best baseline method achieves 66.8%. In the zero-shot generalization setting, GR-1 improves the success rate from 53.3% to 85.4%. In real robot experiments, GR-1 also outperforms the comparing baseline method. We provide inaugural evidence that a unified GPT-style transformer, augmented with large-scale video generative pre-training, exhibits remarkable generalization to multi-task visual robot manipulation. Code will be made available.

Tabular data have been playing a mostly important role in diverse real-world fields, such as healthcare, engineering, finance, etc.With the recent success of deep learning, many tabular machine learning (ML) methods based on deep networks (e.g., Transformer, ResNet) have achieved competitive performance on tabular benchmarks. However, existing deep tabular ML methods suffer from the representation entanglement and localization, which largely hinders their prediction performance and leads to performance inconsistency on tabular tasks.To overcome these problems, we explore a novel direction of applying prototype learning for tabular ML and propose a prototype-based tabular representation learning framework, PTaRL, for tabular prediction tasks. The core idea of PTaRL is to construct prototype-based projection space (P-Space) and learn the disentangled representation around global data prototypes. Specifically, PTaRL mainly involves two stages: (i) Prototype Generating, that constructs global prototypes as the basis vectors of P-Space for representation, and (ii) Prototype Projecting, that projects the data samples into P-Space and keeps the core global data information via Optimal Transport. Then, to further acquire the disentangled representations, we constrain PTaRL with two strategies: (i) to diversify the coordinates towards global prototypes of different representations within P-Space, we bring up a diversifying constraint for representation calibration; (ii) to avoid prototype entanglement in P-Space, we introduce a matrix orthogonalization constraint to ensure the independence of global prototypes. Finally, we conduct extensive experiments in PTaRL coupled with state-of-the-art deep tabular ML models on various tabular benchmarks and the results have shown our consistent superiority.

Recent breakthroughs in diffusion models have exhibited exceptional image-generation capabilities. However, studies show that some outputs are merely replications of training data. Such replications present potential legal challenges for model owners, especially when the generated content contains proprietary information. In this work, we introduce a straightforward yet effective method for detecting memorized prompts by inspecting the magnitude of text-conditional predictions. Our proposed method seamlessly integrates without disrupting sampling algorithms, and delivers high accuracy even at the first generation step, with a single generation per prompt. Building on our detection strategy, we unveil an explainable approach that shows the contribution of individual words or tokens to memorization. This offers an interactive medium for users to adjust their prompts. Moreover, we propose two strategies i.e., to mitigate memorization by leveraging the magnitude of text-conditional predictions, either through minimization during inference or filtering during training. These proposed strategies effectively counteract memorization while maintaining high-generation quality.

SGD and AdamW are the two most used optimizers for fine-tuning large neural networks in computer vision. When the two methods perform the same, SGD is preferable because it uses less memory (12 bytes/parameter with momentum and 8 bytes/parameter without) than AdamW (16 bytes/parameter). However, on a suite of downstream tasks, especially those with distribution shifts, we find that fine-tuning with AdamW performs substantially better than SGD on modern Vision Transformer and ConvNeXt models. We find that large gaps in performance between SGD and AdamW occur when the fine-tuning gradients in the first "embedding" layer are much larger than in the rest of the model. Our analysis suggests an easy fix that works consistently across datasets and models: freezing the embedding layer (less than 1% of the parameters) leads to SGD with or without momentum performing slightly better than AdamW while using less memory (e.g., on ViT-L, SGD uses 33% less GPU memory). Our insights result in state-of-the-art accuracies on five popular distribution shift benchmarks: WILDS-FMoW, WILDS-Camelyon, BREEDS-Living-17, Waterbirds, and DomainNet.

Network embedding (NE) is a prominent techniques for network analysis that represents nodes as embeddings in a continuous vector space. We observe existing works all fall in the low-dimensional embedding space with two reasons: 1) it is empirically found that the increasing embedding dimension will cause the over-fitting of embedding models and the subsequent descent of model performance; 2) the overhead brought by high-dimensional embedding also makes a computing method seemingly impractical and worthless. In this paper, we explore a new NE paradigm whose embedding dimension goes exponentially high yet being very efficient and effective. Specifically, the node embeddings are represented as product quantum states that lie in a super high-dimensional (e.g. $2^{32}$-dim) quantum Hilbert space, with a carefully designed optimization approach to guarantee the robustness to work in different scenarios. In the experiments, we show diverse virtues of our methods, including but not limited to: the overwhelming performance on downstream tasks against conventional low-dimensional NE baselines with the similar amount of computing resources, the super high efficiency for a fixed low embedding dimension (e.g. 512) with less than 1/200 memory usage, the robustness when equipped with different objectives and sampling strategies as a fundamental tool for future NE research. As an unexplored topic in literature, the high-dimensional NE paradigm is demonstrated to be effective both experimentally and theoretically.

Deep learning models often fail to generalize well under distribution shifts. Understanding and overcoming these failures have led to a new research field on Out-of-Distribution (OOD) generalization. Despite being extensively studied for static computer vision tasks, OOD generalization has been severely underexplored for time series tasks. To shine a light on this gap, we present WOODS: 10 challenging time series benchmarks covering a diverse range of data modalities, such as videos, brain recordings, and smart device sensory signals. We revise the existing OOD generalization algorithms for time series tasks and evaluate them using our systematic framework. Our experiments show a large room for improvement for empirical risk minimization and OOD generalization algorithms on our datasets, thus underscoring the new challenges posed by time series tasks.

Keeping large foundation models up to date on latest data is inherently expensive. To avoid the prohibitive costs of constantly retraining, it is imperative to continually train these models. This problem is exacerbated by the lack of any large scale continual learning benchmarks or baselines. We introduce the first set of web-scale Time-Continual (TiC) benchmarks for training vision-language models: TIC-DataComp, TIC-YFCC, and TIC-RedCaps with over 12.7B timestamped image-text pairs spanning 9 years (2014--2022). We first use our benchmarks to curate various dynamic evaluations to measure temporal robustness of existing models. We show OpenAI’s CLIP (trained on data up to 2020) loses $\approx 8\%$ zero-shot accuracy on our curated retrieval task from 2021--2022 compared with more recently trained models in OpenCLIP repository. We then study how to efficiently train models on time-continuous data. We demonstrate that a simple rehearsal-based approach that continues training from the last checkpoint and replays old data reduces compute by $2.5\times$ when compared to the standard practice of retraining from scratch.

A central objective in computer vision is to design models with appropriate 2-D inductive bias. Desiderata for 2-D inductive bias include two-dimensional position awareness, dynamic spatial locality, and translation and permutation invariance. To address these goals, we leverage an expressive variation of the multidimensional State Space Model (SSM). Our approach introduces efficient parameterization,accelerated computation, and a suitable normalization scheme. Empirically, we observe that incorporating our layer at the beginning of each transformer block of Vision Transformers (ViT) significantly enhances performance for multiple ViT backbones and across datasets. The new layer is effective even with a negligible amount of additional parameters and inference time. Ablation studies and visualizations demonstrate that the layer has a strong 2-D inductive bias. For example, vision transformers equipped with our layer exhibit effective performance evenwithout positional encoding. Our code is attached as supplementary.

Human beings can make adaptive decisions in a preparatory manner, i.e., by making preparations in advance, which offers significant advantages in scenarios where both online and offline experiences are expensive and limited. Meanwhile, current reinforcement learning methods commonly rely on numerous environment interactions but hardly obtain generalizable policies. In this paper, we introduce the idea of \textit{rehearsal} into policy optimization, where the agent plans for all possible outcomes in mind and acts adaptively according to actual responses from the environment. To effectively rehearse, we propose ReDM, an algorithm that generates a diverse and eligible set of dynamics models and then rehearse the policy via adaptive training on the generated model set. Rehearsal enables the policy to make decision plans for various hypothetical dynamics and to naturally generalize to previously unseen environments. Our experimental results demonstrate that ReDM is capable of learning a valid policy solely through rehearsal, even with \emph{zero} interaction data. We further extend ReDM to scenarios where limited or mismatched interaction data is available, and our experimental results reveal that ReDM produces high-performing policies compared to other offline RL baselines.

Large language models (LLMs) have revolutionized natural language processing tasks. However, their practical deployment is hindered by their immense memory and computation requirements. Although recent post-training quantization (PTQ) methods are effective in reducing memory footprint and improving the computational efficiency of LLM, they hand-craft quantization parameters, which leads to low performance and fails to deal with extremely low-bit quantization. To tackle this issue, we introduce an Omnidirectionally calibrated Quantization (OmniQuant) technique for LLMs, which achieves good performance in diverse quantization settings while maintaining the computational efficiency of PTQ by efficiently optimizing various quantization parameters. OmniQuant comprises two innovative components including Learnable Weight Clipping (LWC) and Learnable Equivalent Transformation (LET). LWC modulates the extreme values of weights by optimizing the clipping threshold. Meanwhile, LET tackles activation outliers by shifting the challenge of quantization from activations to weights through a learnable equivalent transformation. Operating within a differentiable framework using block-wise error minimization, OmniQuant can optimize the quantization process efficiently for both weight-only and weight-activation quantization. For instance, the LLaMA-2 model family with the size of 7-70B can be processed with OmniQuant on a single A100-40G GPU within 1-16 hours using 128 samples. Extensive experiments validate OmniQuant's superior performance across diverse quantization configurations such as W4A4, W6A6, W4A16, W3A16, and W2A16. Additionally, OmniQuant demonstrates effectiveness in instruction-tuned models and delivers notable improvements in inference speed and memory reduction on real devices. Codes and models are available at https://github.com/anonymous998899/OmniQuant.

We present a scalable method to build a high quality instruction following language model by automatically labelling human-written text with corresponding instructions. Our approach, named instruction backtranslation, starts with a language model finetuned on a small amount of seed data, and a given web corpus. The seed model is used to construct training examples by generating instruction prompts for web documents (self-augmentation), and then selecting high quality examples from among these candidates (self-curation). This data is then used to finetune a stronger model. Finetuning LLaMa on two iterations of our approach yields a model that outperforms all other LLaMa-based models on the Alpaca leaderboard not relying on distillation data, demonstrating highly effective self-alignment.

As the cost associated with fine-tuning Large Language Models (LLMs) continues to rise, recent research efforts have pivoted towards developing methodologies to edit implicit knowledge embedded within LLMs. Yet, there's still a dark cloud lingering overhead -- will knowledge editing trigger butterfly effect? since it is still unclear whether knowledge editing might introduce side effects that pose potential risks or not. This paper pioneers the investigation into the potential pitfalls associated with knowledge editing for LLMs. To achieve this, we introduce new benchmark datasets and propose innovative evaluation metrics. Our results underline two pivotal concerns: (1) Knowledge Conflict: Editing groups of facts that logically clash can magnify the inherent inconsistencies in LLMs—a facet neglected by previous methods. (2) Knowledge Distortion: Altering parameters with the aim of editing factual knowledge can irrevocably warp the innate knowledge structure of LLMs. Experimental results vividly demonstrate that knowledge editing might inadvertently cast a shadow of unintended consequences on LLMs, which warrant attention and efforts for future works. Codes are in the supplementary materials and will be released.

Self-supervised learning excels in learning representations from large amounts of unlabeled data, demonstrating success across multiple data modalities. Yet, extending self-supervised learning to new modalities is non-trivial because the specifics of existing methods are tailored to each domain, such as domain-specific augmentations which reflect the invariances in the target task. While masked modeling is promising as a domain-agnostic framework for self-supervised learning because it does not rely on input augmentations, its mask sampling procedure remains domain-specific. We present Self-guided Masked Autoencoders (SMA), a fully domain-agnostic masked modeling method. SMA trains an attention based model using a masked modeling objective, by learning masks to sample without any domain-specific assumptions. We evaluate SMA on three self-supervised learning benchmarks in protein biology, chemical property prediction, and particle physics. We find SMA is capable of learning representations without domain-specific knowledge and achieves state-of-the-art performance on these three benchmarks.

The majority of the research on the quantization of Deep Neural Networks (DNNs) is focused on reducing the precision of tensors visible by high-level frameworks (e.g., weights, activations, and gradients). However, current hardware still relies on high-accuracy core operations. Most significant is the operation of accumulating products. This high-precision accumulation operation is gradually becoming the main computational bottleneck. This is because, so far, the usage of low-precision accumulators led to a significant degradation in performance. In this work, we present a simple method to train and fine-tune DNNs, to allow, for the first time, utilization of cheaper, $12$-bits accumulators, with no significant degradation in accuracy. Lastly, we show that as we decrease the accumulation precision further, using fine-grained gradient approximations can improve the DNN accuracy.

Contrastive learning is a highly successful technique for learning representations of data from labeled tuples, specifying the distance relations within the tuple. We study the sample complexity of contrastive learning, i.e. the minimum number of labeled tuples sufficient for getting high generalization accuracy. We give tight bounds on the sample complexity in a variety of settings, focusing on arbitrary distance functions, $\ell_p$-distances, and tree metrics. Our main result is an (almost) optimal bound on the sample complexity of learning $\ell_p$-distances for integer $p$. For any $p \ge 1$, we show that $\tilde \Theta(nd)$ labeled tuples are necessary and sufficient for learning $d$-dimensional representations of $n$-point datasets. Our results hold for an arbitrary distribution of the input samples and are based on giving the corresponding bounds on the Vapnik-Chervonenkis/Natarajan dimension of the associated problems. We further show that the theoretical bounds on sample complexity obtained via VC/Natarajan dimension can have strong predictive power for experimental results, in contrast with the folklore belief about a substantial gap between the statistical learning theory and the practice of deep learning.

Open-world entity segmentation, as an emerging computer vision task, aims at segmenting entities in images without being restricted by pre-defined classes, offering impressive generalization capabilities on unseen images and concepts. Despite its promise, existing entity segmentation methods like Segment Anything Model (SAM) rely heavily on costly expert annotators. This work presents Self-supervised Open-world Hierarchical Entity Segmentation (SOHES), a novel approach that sidesteps the need for human annotations. SOHES operates in three phases: self-exploration, self-instruction, and self-correction. Given a pre-trained self-supervised representation, we produce abundant high-quality pseudo-labels through visual feature clustering. Then, we train a segmentation model on the pseudo-labels, and rectify the noises in pseudo-labels via a teacher-student mutual-learning procedure. Beyond segmenting entities, SOHES also captures their constituent parts, providing a hierarchical understanding of visual entities. Using raw images as the sole training data, our method achieves unprecedented performance in self-supervised open-world segmentation, marking a significant milestone towards high-quality open-world entity segmentation in the absence of human-annotated masks.

Normalizing Flows explicitly maximize a full-dimensional likelihood on the training data. However, real data is typically only supported on a lower-dimensional manifold leading the model to expend significant compute on modeling noise. Injective Flows fix this by jointly learning a manifold and the distribution on it. So far, they have been limited by restrictive architectures and/or high computational cost. We lift both constraints by a new efficient estimator for the maximum likelihood loss, compatible with free-form bottleneck architectures. We further show that naively learning both the data manifold and the distribution on it can lead to divergent solutions, and use this insight to motivate a stable maximum likelihood training objective. We perform extensive experiments on toy, tabular and image data, demonstrating the competitive performance of the resulting model.

Spatial relationships between objects represent key scene information for humans to understand and interact with the world. To study the capability of current computer vision systems to recognize physically grounded spatial relations, we start by proposing precise relation definitions that permit consistently annotating a benchmark dataset. Despite the apparent simplicity of this task relative to others in the recognition literature, we observe that existing approaches perform poorly on this benchmark. We propose new approaches exploiting the long-range attention capabilities of transformers for this task, and evaluating key design principles. We identify a simple "RelatiViT" architecture and demonstrate that it outperforms all current approaches. To our knowledge, this is the first method to convincingly outperform naive baselines on spatial relation prediction in in-the-wild settings.

Diffusion models have emerged as a powerful method of generative modeling across a range of fields, capable of producing stunning photo-realistic images from natural language descriptions. However, these models lack explicit control over the 3D structure in the generated images. Consequently, this hinders our ability to obtain detailed 3D annotations for the generated images or to craft instances with specific poses and distances. In this paper, we propose a simple yet effective method that incorporates 3D geometry control into diffusion models. Our method exploits ControlNet, which extends diffusion models by using visual prompts in addition to text prompts. We generate images of the 3D objects taken from 3D shape repositories (e.g., ShapeNet and Objaverse), render them from a variety of poses and viewing directions, compute the edge maps of the rendered images, and use these edge maps as visual prompts to generate realistic images. With explicit 3D geometry control, we can easily change the 3D structures of the objects in the generated images and obtain ground-truth 3D annotations automatically. This allows us to improve a wide range of vision tasks, e.g., classification and 3D pose estimation, in both in-distribution (ID) and out-of-distribution (OOD) settings. We demonstrate the effectiveness of our method through extensive experiments on ImageNet-100, ImageNet-R, PASCAL3D+, ObjectNet3D, and OOD-CV. The results show that our method significantly outperforms existing methods across multiple benchmarks, e.g., 3.8 percentage points on ImageNet-100 using DeiT-B and 3.5 percentage points on PASCAL3D+ & ObjectNet3D using NeMo.

Logic synthesis, a pivotal stage in chip design, entails optimizing chip specifications encoded in hardware description languages like Verilog into highly efficient implementations using Boolean logic gates. The process involves a sequential application of logic minimization heuristics (``synthesis recipe"), with their arrangement significantly impacting crucial metrics such as area and delay. Addressing the challenge posed by the broad spectrum of hardware design complexities — from variations of past designs (e.g., adders and multipliers) to entirely novel configurations (e.g., innovative processor instructions) — requires a nuanced 'synthesis recipe' guided by human expertise and intuition. This study conducts a thorough examination of learning and search techniques for logic synthesis, unearthing a surprising revelation: pre-trained agents, when confronted with entirely novel designs, may veer off course, detrimentally affecting the search trajectory. We present RGLS, a meticulously tuned $\alpha$ parameter that adeptly adjusts recommendations from pre-trained agents during the search process. Computed based on similarity scores through nearest neighbor retrieval from the training dataset, RGLS yields superior synthesis recipes tailored for a wide array of hardware designs. Our findings showcase substantial enhancements in the Quality of Result (QoR) of synthesized circuits, boasting improvements of up to 24.8\% compared to state-of-the-art techniques. Furthermore, RGLS achieves an impressive up to 9x reduction in runtime (iso-QoR) when compared to current state-of-the-art methodologies.

The manifold hypothesis posits that high-dimensional data often lies on a lower-dimensional manifold and that utilizing this manifold as the target space yields more efficient representations. While numerous traditional manifold-based techniques exist for dimensionality reduction, their application in self-supervised learning has witnessed slow progress. The recent MSimCLR method combines manifold encoding with SimCLR but requires extremely low target encoding dimensions to outperform SimCLR, limiting its applicability. This paper introduces a novel learning paradigm using an unbalanced atlas (UA), capable of surpassing state-of-the-art self-supervised learning approaches. We investigated and engineered the DeepInfomax with an unbalanced atlas (DIM-UA) method by adapting the Spatiotemporal DeepInfomax (ST-DIM) framework to align with our proposed UA paradigm. The efficacy of DIM-UA is demonstrated through training and evaluation on the Atari Annotated RAM Interface (AtariARI) benchmark, a modified version of the Atari 2600 framework that produces annotated image samples for representation learning. The UA paradigm improves existing algorithms significantly as the number of target encoding dimensions grows. For instance, the mean F1 score averaged over categories of DIM-UA is~75% compared to ~70% of ST-DIM when using 16384 hidden units.

We present a novel defense, against backdoor attacks on Deep Neural Networks (DNNs), wherein adversaries covertly implant malicious behaviors (backdoors) into DNNs. Our defense falls within the category of post-development defenses that operate independently of how the model was generated. The proposed defense is built upon a novel reverse engineering approach that can directly extract backdoor functionality of a given backdoored model to a backdoor expert model. The approach is straightforward --- finetuning the backdoored model over a small set of intentionally mislabeled clean samples, such that it unlearns the normal functionality while still preserving the backdoor functionality, and thus resulting in a model~(dubbed a backdoor expert model) that can only recognize backdoor inputs. Based on the extracted backdoor expert model, we show the feasibility of devising highly accurate backdoor input detectors that filter out the backdoor inputs during model inference. Further augmented by an ensemble strategy with a finetuned auxiliary model, our defense, BaDExpert (Backdoor Input Detection with Backdoor Expert), effectively mitigates 17 SOTA backdoor attacks while minimally impacting clean utility. The effectiveness of BaDExpert has been verified on multiple datasets (CIFAR10, GTSRB and ImageNet) across various model architectures (ResNet, VGG, MobileNetV2 and Vision Transformer).

In deep metric learning, the triplet loss has emerged as a popular method to learn many computer vision and natural language processing tasks such as facial recognition, object detection, and visual-semantic embeddings. One issue that plagues the triplet loss is network collapse, an undesirable phenomenon where the network projects the embeddings of all data onto a single point. Researchers predominately solve this problem by using triplet mining strategies. While hard negative mining is the most effective of these strategies, existing formulations lack strong theoretical justification for their empirical success. In this paper, we utilize the mathematical theory of isometric approximation to show an equivalence between the triplet loss sampled by hard negative mining and an optimization problem that minimizes a Hausdorff-like distance between the neural network and its ideal counterpart function. This provides the theoretical justifications for hard negative mining's empirical efficacy. Experiments performed on the Market-1501 and Stanford Online Products datasets with various network architectures corroborate our theoretical findings, indicating that network collapse tends to happen when batch size is too large or embedding dimension is too small. In addition, our novel application of the isometric approximation theorem provides the groundwork for future forms of hard negative mining that avoid network collapse.

In object detection, varying annotation protocols across datasets can result in annotation mismatches, leading to inconsistent class labels and bounding regions. Addressing these mismatches typically involves manually identifying common trends and fixing the corresponding bounding boxes and class labels. To alleviate this laborious process, we introduce the label translation problem in object detection. Here, the goal is to translate bounding boxes from one or more source datasets to match the annotation style of a target dataset. We propose a data-centric approach, Label-Guided Pseudo-Labeling (LGPL), that improves downstream detectors in a manner agnostic to the detector learning algorithms and model architectures. Validating across four object detection scenarios, defined over seven different datasets and three different architectures, we show that translating labels for a target task via LGPL consistently improves the downstream detection in every setting, on average by $1.88$ mAP and $2.65$ AP$^{75}$. Most importantly, we find that when training with multiple labeled datasets, carefully addressing annotation mismatches with LGPL alone can improve downstream object detection better than off-the-shelf domain adaptation techniques that align only image features.

Coordinate network or implicit neural representation (INR) is a fast-emerging method for encoding natural signals (such as images and videos) with the benefits of a compact neural representation. While numerous methods have been proposed to increase the encoding capabilities of an INR, an often overlooked aspect is the inference efficiency, usually measured in multiply-accumulate (MAC) count. This is particularly critical in use cases where inference bandwidth is greatly limited by hardware constraints. To this end, we propose the Activation-Sharing Multi-Resolution (ASMR) coordinate network that combines multi-resolution coordinate decomposition with hierarchical modulations. Specifically, an ASMR model enables the sharing of activations across grids of the data. This largely decouples its inference cost from its depth which is directly correlated to its reconstruction capability, and renders a near $O(1)$ inference complexity irrespective of the number of layers. Experiments show that ASMR can reduce the MAC of a vanilla SIREN model by up to 350$\times$ while achieving an even higher reconstruction quality than its SIREN baseline.

Large language models (LLMs) have led to a surge in collaborative writing with model assistance. As different users incorporate suggestions from the same model, there is a risk of decreased diversity in the produced content, potentially limiting diverse perspectives in public discourse. In this work, we measure the impact of co-writing on diversity via a controlled experiment, where users write argumentative essays in three setups---using a base LLM (GPT3), a feedback-tuned LLM (InstructGPT), and writing without model help. We develop a set of diversity metrics and find that writing with InstructGPT (but not the GPT3) results in a statistically significant reduction in diversity. Specifically, it increases the similarity between the writings of different authors and reduces the overall lexical and content diversity. We additionally find that this effect is mainly attributable to InstructGPT contributing less diverse text to co-written essays. In contrast, the user-contributed text remains unaffected by model collaboration. This suggests that the recent improvement in generation quality from adapting models to human feedback might come at the cost of more homogeneous and less diverse content.

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks --- neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

While backpropagation (BP) is the mainstream approach for gradient computation in neural network training, its heavy reliance on the chain rule of differentiation constrains the designing flexibility of network architecture and training pipelines. We avoid the recursive computation in BP and develop a unified likelihood ratio (ULR) method for gradient estimation with just one forward propagation. Not only can ULR be extended to train a wide variety of neural network architectures, but the computation flow in BP can also be rearranged by ULR for better device adaptation. Moreover, we propose several variance reduction techniques to further accelerate the training process. Our experiments offer numerical results across diverse aspects, including various neural network training scenarios, computation flow rearrangement, and fine-tuning of pre-trained models. All findings demonstrate that ULR effectively enhances the flexibility of neural network training by permitting localized module training without compromising the global objective and significantly boosts the network robustness.

Neural operators, such as Fourier Neural Operators (FNO), form a principled approach for learning solution operators for partial differential equations (PDE) and other mappings between function spaces. However, many real-world problems require high-resolution training data, and the training time and limited GPU memory pose big barriers. One solution is to train neural operators in mixed precision to reduce the memory requirement and increase training speed. However, existing mixed-precision training techniques are designed for standard neural networks, and we find that their direct application to FNO leads to numerical overflow and poor memory efficiency. Further, at first glance, it may appear that mixed precision in FNO will lead to drastic accuracy degradation since reducing the precision of the Fourier transform yields poor results in classical numerical solvers. We show that this is not the case; in fact, we prove that reducing the precision in FNO still guarantees a good approximation bound, when done in a targeted manner. Specifically, we build on the intuition that neural operator learning inherently induces an approximation error, arising from discretizing the infinite-dimensional ground-truth input function, implying that training in full precision is not needed. We formalize this intuition by rigorously characterizing the approximation and precision errors of FNO and bounding these errors for general input functions. We prove that the precision error is asymptotically comparable to the approximation error. Based on this, we design a simple method to optimize the memory-intensive half-precision tensor contractions by greedily finding the optimal contraction order. Through extensive experiments on different state-of-the-art neural operators, datasets, and GPUs, we demonstrate that our approach reduces GPU memory usage by up to 50% and improves throughput by 58% with little or no reduction in accuracy.

Recent advances in tabular data generation have greatly enhanced synthetic data quality. However, extending diffusion models to tabular data is challenging due to the intricately varied distributions and a blend of data types of tabular data. This paper introduces TABSYN, a methodology that synthesizes tabular data by leveraging a diffusion model within a variational autoencoder (VAE) crafted latent space.The key advantages of the proposed TabSyn include (1) Generality: the ability to handle a broad spectrum of data types by converting them into a single unified space and explicitly capture inter-column relations, (2) Quality: optimizing the distribution of latent embeddings to enhance the subsequent training of diffusion models, which helps generate high-quality synthetic data, (3) Speed: much fewer number of reverse steps and faster synthesis speed than existing diffusion-based methods. Extensive experiments on six datasets with five metrics demonstrate that TabSyn outperforms existing methods. Specifically, it reduces the error rates by 86% and 67% for column-wise distribution and pair-wise column correlation estimations compared with the most competitive baselines, its superiority in accuratelylearning the data distributions of tabular data.

Existing video-language pre-training methods primarily focus on instance-level alignment between video clips and captions via global contrastive learning but neglect rich fine-grained local information in both videos and text, which is of importance to downstream tasks requiring temporal localization and semantic reasoning. A powerful model is expected to be capable of capturing region-object correspondences and recognizing scene changes in a video clip, reflecting spatial and temporal granularity respectively. To strengthen model's understanding of such fine-grained information, we propose a simple yet effective video-language modeling framework, S-ViLM, based on intrinsic structures of these two modalities. It includes two novel designs, inter-clip spatial grounding and intra-clip temporal grouping, to promote learning region-object alignment and temporal-aware features simultaneously. Comprehensive evaluations demonstrate that S-ViLM performs favorably against existing approaches in learning more expressive representations.Specifically, S-ViLM surpasses the state-of-the-art methods substantially on four representative downstream tasks, covering text-video retrieval, video question answering, video action recognition and temporal action localization.

Meta-reinforcement learning (meta-RL) is a promising framework for tackling challenging domains requiring efficient exploration. Existing meta-RL algorithms are characterized by low sample efficiency, and mostly focus on low-dimensional task distributions. In parallel, model-based RL methods have been successful in solving partially observable MDPs, of which meta-RL is a special case.In this work, we leverage this success and propose a new model-based approach to meta-RL, based on elements from existing state-of-the-art model-based and meta-RL methods. We demonstrate the effectiveness of our approach on common meta-RL benchmark domains, attaining greater return with better sample efficiency (up to $15\times$) while requiring very little hyperparameter tuning. In addition, we validate our approach on a slate of more challenging, higher-dimensional domains, taking a step towards real-world generalizing agents.

High-throughput drug screening -- using cell imaging or gene expression measurements as readouts of drug effect -- is a critical tool in biotechnology to assess and understand the relationship between the chemical structure and biological activity of a drug. Since large-scale screens have to be divided into multiple experiments, a key difficulty is dealing with batch effects, which can introduce systematic errors and non-biological associations in the data. We propose InfoCORE, an Information maximization approach for COnfounder REmoval, to effectively deal with batch effects and obtain refined molecular representations. InfoCORE establishes a variational lower bound on the conditional mutual information of the latent representations given a batch identifier. It adaptively reweights samples to equalize their implied batch distribution. Extensive experiments on drug screening data reveal InfoCORE's superior performance in a multitude of tasks including molecular property prediction and molecule-phenotype retrieval. Additionally, we show results for how InfoCORE offers a versatile framework and resolves general distribution shifts and issues of data fairness by minimizing correlation with spurious features or removing sensitive attributes.

What is the relationship between model architecture and the ability to perform in-context learning? In this empirical study, we take the first steps towards answering this question. In particular, we evaluate fifteen model architectures across a suite of synthetic in-context learning tasks. The selected architectures represent a broad range of paradigms, including recurrent and convolution-based neural networks, transformers, and state-space models. We discover that all considered architectures can perform in-context learning under certain conditions. However, contemporary architectures are found to be the best performing, especially as task complexity grows. Additionally, our follow-up experiments delve into various factors that influence in-context learning. We observe varied sensitivities among architectures with respect to hyperparameter settings. Our study of training dynamics reveals that certain architectures exhibit a smooth, progressive learning trajectory, while others demonstrate periods of stagnation followed by abrupt mastery of the task. Finally, and somewhat surprisingly, we find that several state-space model variants are more robust in-context learners than transformers; since state-space models have constant-sized memory footprints at inference time, this result opens the future possibility of scaling up in-context learning to vastly larger numbers of in-context examples.

Research on optimizing the risk measure of a blackbox function using Gaussian processes, especially Bayesian optimization (BO) of risk measures, has become increasingly important due to the inevitable presence of uncontrollable variables in real-world applications. Nevertheless, existing works on BO of risk measures start the optimization from scratch for every new task without considering the results of previous tasks. In contrast, its vanilla BO counterpart has received a thorough investigation on utilizing previous tasks to speed up the current task through the body of works on meta-BO which, however, have not considered risk measures. To bridge this gap, this paper presents the first algorithm for meta-BO of risk measures (i.e., value-at-risk (VaR) and the conditional VaR) by introducing a novel adjustment to the upper confidence bound acquisition function. Our proposed algorithm exhibits two desirable properties: (i) invariance to scaling and vertical shifting of the blackbox function and (ii) robustness to previous harmful tasks. We provide a theoretical performance guarantee for our algorithm and empirically demonstrate its performance using several synthetic function benchmarks and real-world objective functions.

Large language models (LLMs) have recently received considerable attention as alternative solutions for task planning. However, comparing the performance of language-oriented task planners becomes difficult, and there exists a dearth of detailed exploration regarding the effects of various factors such as pre-trained model selection and prompt construction. To address this, we propose a benchmark system for automatically quantifying performance of task planning for home-service embodied agents. Task planners are tested on two pairs of datasets and simulators: 1) ALFRED and AI2-THOR, 2) an extension of Watch-And-Help and VirtualHome. Using the proposed benchmark system, we perform extensive experiments with LLMs and prompts, and explore several enhancements of the baseline planner. We expect that the proposed benchmark tool would accelerate the development of language-oriented task planners.

The Euler Characteristic Transform (ECT) has proven to be a powerful representation, combining geometrical and topological characteristics of shapes and graphs. However, the ECT was hitherto unable to learn task-specific representations. We overcome this issue and develop a novel computational layer that enables learning the ECT in an end-to-end fashion. Our method, DECT, is fast and computationally efficient, while exhibiting performance on a par with more complex models in both graph and point cloud classification tasks. Moreover, we show that this seemingly unexpressive statistic still provides the same topological expressivity as more complex topological deep learning layers provide.

While large language models based on the transformer architecture have demonstrated remarkable in-context learning (ICL) capabilities, understandings of such capabilities are still in an early stage, where existing theory and mechanistic understanding focus mostly on simple scenarios such as learning simple function classes. This paper takes initial steps on understanding ICL in more complex scenarios, by studying learning with \emph{representations}. Concretely, we construct synthetic in-context learning problems with a compositional structure, where the label depends on the input through a possibly complex but \emph{fixed} representation function, composed with a linear function that \emph{differs} in each instance. By construction, the optimal ICL algorithm first transforms the inputs by the representation function, and then performs linear ICL on top of the transformed dataset. We show theoretically the existence of transformers that approximately implement such algorithms with mild depth and size. Empirically, we find trained transformers consistently achieve near-optimal ICL performance in this setting, and exhibit the desired dissection where lower layers transforms the dataset and upper layers perform linear ICL. Through extensive probing and a new pasting experiment, we further reveal several mechanisms within the trained transformers, such as concrete copying behaviors on both the inputs and the representations, linear ICL capability of the upper layers alone, and a post-ICL representation selection mechanism in a harder mixture setting. These observed mechanisms align well with our theory and may shed light on how transformers perform ICL in more realistic scenarios.

Despite the remarkable success of diffusion models in image generation, slow sampling remains a persistent issue. To accelerate the sampling process, prior studies have reformulated diffusion sampling as an ODE/SDE and introduced higher-order numerical methods. However, these methods often produce divergence artifacts, especially with a low number of sampling steps, which limits the achievable acceleration. In this paper, we investigate the potential causes of these artifacts and suggest that the small stability regions of these methods could be the principal cause. To address this issue, we propose two novel techniques. The first technique involves the incorporation of Heavy Ball (HB) momentum, a well-known technique for improving optimization, into existing diffusion numerical methods to expand their stability regions. We also prove that the resulting methods have first-order convergence. The second technique, called Generalized Heavy Ball (GHVB), constructs a new high-order method that offers a variable trade-off between accuracy and artifact suppression. Experimental results show that our techniques are highly effective in reducing artifacts and improving image quality, surpassing state-of-the-art diffusion solvers on both pixel-based and latent-based diffusion models for low-step sampling. Our research provides novel insights into the design of numerical methods for future diffusion work.

Motivated by equilibrium models of labor markets, we develop a formulation of causal strategic classification in which strategic agents can directly manipulate their outcomes. As an application, we consider employers that seek to anticipate the strategic response of a labor force when developing a hiring policy. We show theoretically that employers with performatively optimal hiring policies improve employer reward, labor force skill level, and labor force equity (compared to employers that do not anticipate the strategic labor force response) in the classic Coate-Loury labor market model. Empirically, we show that these desirable properties of performative hiring policies do generalize to our own formulation of a general equilibrium labor market. On the other hand, we also observe that the benefits of performatively optimal hiring policies are brittle in some aspects. We demonstrate that in our formulation a performative employer both harms workers by reducing their aggregate welfare and fails to prevent discrimination when more sophisticated wage and cost structures are introduced.

Recent research has highlighted the potential of large language models (LLMs)to improve their problem-solving capabilities with the aid of suitable externaltools. In our work, we further advance this concept by introducing a closed-loop framework, referred to as LLMs A s Tool Makers (LATM), where LLMscreate their own reusable tools for problem-solving. Our approach consists of twophases: 1) tool making: an LLM acts as the tool maker that crafts tools for a setof tasks, where a tool is implemented as a Python utility function. 2) tool using:another LLM acts as the tool user, which applies the tool built by the tool makerfor problem-solving. The tool user can be either the same or a different LLMfrom the tool maker. On the problem-solving server side, tool-making enablescontinual tool generation and caching as new requests emerge. This frameworkenables subsequent requests to access cached tools via their corresponding APIs,enhancing the efficiency of task resolution. Beyond enabling LLMs to create theirown tools, our framework also uncovers intriguing opportunities to optimize theserving cost of LLMs: Recognizing that tool-making requires more sophisticatedcapabilities, we assign this task to a powerful, albeit resource-intensive, model.Conversely, the simpler tool-using phase is delegated to a lightweight model. Thisstrategic division of labor allows the once-off cost of tool-making to be spreadover multiple instances of tool-using, significantly reducing average costs whilemaintaining strong performance. Furthermore, our method offers a functionalcache through the caching and reuse of tools, which stores the functionality ofa class of requests instead of the natural language responses from LLMs, thusextending the applicability of the conventional cache mechanism. We evaluateour approach across various complex reasoning tasks, including Big-Bench tasks.With GPT-4 as the tool maker and GPT-3.5 as the tool user, LATM demonstratesperformance equivalent to using GPT-4 for both roles, but with a significantlyreduced inference cost.

Time series imputation presents a significant challenge because it requires capturing the underlying temporal dynamics from partially observed time series data. Among the recent successes of imputation methods based on generative models, the information bottleneck (IB) framework offers a well-suited theoretical foundation for multiple imputations, allowing us to account for the uncertainty associated with the imputed values. However, directly applying the IB framework to time series data without considering their temporal context can lead to a substantial loss of temporal dependencies, which, in turn, can degrade the overall imputation performance. To address such a challenge, we propose a novel conditional information bottleneck (CIB) approach for time series imputation, which aims to mitigate the potentially negative consequences of the regularization constraint by focusing on reducing the redundant information conditioned on the temporal context. We provide a theoretical analysis of its effect by adapting variational decomposition. We use the resulting insight and propose a novel deep learning method that can approximately achieve the proposed CIB objective for time series imputation as a combination of evidence lower bound and novel temporal kernel-enhanced contrastive optimization. Our experiments, conducted on multiple real-world datasets, consistently demonstrate that our method significantly improves imputation performance (including both interpolation and extrapolation), and also enhances classification performance based on the imputed values.

Data pruning aims to obtain lossless performances with less overall cost. A common approach is to filter out samples that make less contribution to the training. This could lead to gradient expectation bias compared to the original data. To solve this problem, we propose InfoBatch, a novel framework aiming to achieve lossless training acceleration by unbiased dynamic data pruning. Specifically, InfoBatchrandomly prunes a portion of less informative samples based on the loss distribution and rescales the gradients of the remaining samples to approximate the original gradient. As a plug-and-play and architecture-agnostic framework, InfoBatch consistently obtains lossless training results on classification, semantic segmentation, vision pertaining, and instruction fine-tuning tasks. On CIFAR10/100, ImageNet-1K, and ADE20K, InfoBatch losslessly saves 40% overall cost. For pertaining MAE and diffusion model, InfoBatch can respectively save 24.8% and 27% cost. For LLaMA instruction fine-tuning, InfoBatch is also able to save 20% cost and is compatible with coreset selection methods. The code will be made public.

Recent advancements in conversational large language models (LLMs), such as ChatGPT, have demonstrated remarkable promise in various domains, including drug discovery. However, existing works mainly focus on investigating the capabilities of conversational LLMs on chemical reactions and retrosynthesis. While drug editing, a critical task in the drug discovery pipeline, remains largely unexplored. To bridge this gap, we propose ChatDrug, a framework to facilitate the systematic investigation of drug editing using LLMs. ChatDrug jointly leverages a prompt module, a retrieval and domain feedback module, and a conversation module to streamline effective drug editing. We empirically show that ChatDrug reaches the best performance on all 39 drug editing tasks, encompassing small molecules, peptides, and proteins. We further demonstrate, through 10 case studies, that ChatDrug can successfully identify the key substructures for manipulation, generating diverse and valid suggestions for drug editing. Promisingly, we also show that ChatDrug can offer insightful explanations from a domain-specific perspective, enhancing interpretability and enabling informed decision-making.

Continual Learning (CL) focuses on learning from dynamic and changing data distributions while retaining previously acquired knowledge. Various methods have been developed to address the challenge of catastrophic forgetting, including regularization-based, Bayesian-based, and memory-replay-based techniques. However, these methods lack a unified framework and common terminology for describing their approaches. This research aims to bridge this gap by introducing a comprehensive and overarching framework that encompasses and reconciles these existing methodologies. Notably, this new framework is capable of encompassing established CL approaches as special instances within a unified and general optimization objective.An intriguing finding is that despite their diverse origins, these methods share common mathematical structures. This observation highlights the compatibility of these seemingly distinct techniques, revealing their interconnectedness through a shared underlying optimization objective.Moreover, the proposed general framework introduces an innovative concept called refresh learning, specifically designed to enhance the CL performance. This novel approach draws inspiration from neuroscience, where the human brain often sheds outdated information to improve the retention of crucial knowledge and facilitate the acquisition of new information. In essence, refresh learning operates by initially unlearning current data and subsequently relearning it. It serves as a versatile plug-in that seamlessly integrates with existing CL methods, offering an adaptable and effective enhancement to the learning process. Extensive experiments on CL benchmarks and theoretical analysis demonstrate the effectiveness of the proposed refresh learning.

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., “yellow breast”) does not help correct highly correlated concepts (e.g., “yellow belly”), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label “Kentucky Warbler” and a concept “black bill”, what is the probability that the model correctly predicts another concept “black crown”), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

Humans often acquire new skills through observation and imitation. For robotic agents, learning from the plethora of unlabeled video demonstration data available on the Internet necessitates imitating the expert without access to its action, presenting a challenge known as Imitation Learning from Observation (ILfO). A common approach to tackle ILfO problems is to convert them into inverse reinforcement learning problems, utilizing a proxy reward computed from the agent's and the expert's observations. Nonetheless, we identify that tasks characterized by a progress dependency property pose significant challenges for such approaches; in these tasks, the agent needs to initially learn the expert's preceding behaviors before mastering the subsequent ones. Our investigation reveals that the main cause is that the reward signals assigned to later steps hinder the learning of initial behaviors. To address this challenge, we present a novel ILfO framework that enables the agent to master earlier behaviors before advancing to later ones. We introduce an Automatic Discount Scheduling (ADS) mechanism that adaptively alters the discount factor in reinforcement learning during the training phase, prioritizing earlier rewards initially and gradually engaging later rewards only when the earlier behaviors have been mastered. Our experiments, conducted on nine Meta-World tasks, demonstrate that our method significantly outperforms state-of-the-art methods across all tasks, including those that are unsolvable by them. Our code is available at https://il-ads.github.io.

The complexity of many tasks and environments can often be decomposed into simpler, independent modules.Discovering underlying compositional structure has the potential to expedite adaptation and enable compositional generalization.Despite progress, our most powerful systems struggle to compose flexibly.While most of these systems are monolithic, modularity promises to allow capturing the compositional nature of many tasks.However, it is unclear under which circumstances modular systems discover this hidden compositional structure.To shed light on this question, we study a teacher-student setting with a modular teacher where we have full control over the composition of ground truth modules.This allows us to relate the problem of compositional generalization to that of identification of the underlying modules.We show theoretically that identification up to linear transformation purely from demonstrations is possible in hypernetworks without having to learn an exponential number of module combinations.While our theory assumes the infinite data limit, in an extensive empirical study we demonstrate how meta-learning from finite data can discover modular solutions that generalize compositionally in modular but not monolithic architectures.We further show that our insights translate outside the teacher-student setting and demonstrate how modularity implemented by hypernetworks allows discovering compositional behavior policies and action-value functions.

This paper addresses the problem of anomaly detection in tabular data, which is usually implemented in an one-class classification setting where the training set only contains normal samples. Inspired by the success of masked image/language modeling in vision and natural language domains, we extend masked modeling methods to address this problem by capturing intrinsic correlations between features in training set. Thus, a sample deviate from such correlations is related to a high possibility of anomaly. To obtain multiple and diverse correlations, we propose a novel masking strategy which generates multiple masks by learning, and design a diversity loss to reduce the similarity of different masks. Extensive experiments show our method achieves state-of-the-art performance. We also discuss the interpretability from the perspective of each individual feature and correlations between features.

Graph Visualization, also known as Graph Drawing, aims to find geometric embeddings of graphs that optimize certain criteria. Stress is a widely used metric; stress is minimized when every pair of nodes is positioned at their shortest path distance. However, stress optimization presents computational challenges due to its inherent complexity and is usually solved using heuristics in practice. We introduce a scalable Graph Neural Network (GNN) based Graph Drawing framework with sub-quadratic runtime that can learn to optimize stress. Inspired by classical stress optimization techniques and force-directed layout algorithms, we create a coarsening hierarchy for the input graph. Beginning at the coarsest level, we iteratively refine and un-coarsen the layout, until we generate an embedding for the original graph. To enhance information propagation within the network, we propose a novel positional rewiring technique based on intermediate node positions. Our empirical evaluation demonstrates that the framework achieves state-of-the-art performance while remaining scalable.

Knowledge graph (KG) reasoning refers to the task of deducing new facts from the existing facts in KG, which has been applied in many fields. Recently, Graph Neural Networks (GNNs) with tail entity scoring achieve the state-of-the-art performance on KG reasoning. However, the theoretical understandings for these GNNs are either lacking or focusing on single-relational graphs, leaving what the kind of rule structures these GNNs can learn an open problem. We propose to fill the above gap in this paper. Specifically, GNNs with tail entity scoring are unified into a common framework. Then, we analyze their expressivity by formally describing the rule structures they can learn and theoretically demonstrating their superiority. These results further inspire us to propose a novel labeling strategy to learn more rule structures in KG reasoning. Experimental results are consistent with our theoretical findings and verify the effectiveness of our proposed method.

The problem of minimizing the maximum of $N$ convex, Lipschitz functions plays significant roles in optimization and machine learning. It has a series of results, with the most recent one requiring $O(N\epsilon^{-2/3} + \epsilon^{-8/3})$ queries to a first-order oracle to compute an $\epsilon$-suboptimal point. On the other hand, quantum algorithms for optimization are rapidly advancing with speedups shown on many important optimization problems. In this paper, we conduct a systematic study of quantum algorithms and lower bounds for minimizing the maximum of $N$ convex, Lipschitz functions. On one hand, we develop quantum algorithms with an improved complexity bound of $\tilde{O}(\sqrt{N}\epsilon^{-5/3} + \epsilon^{-8/3})$. On the other hand, we prove that quantum algorithms must take $\tilde{\Omega}(\sqrt{N}\epsilon^{-2/3})$ queries to a first-order quantum oracle, showing that our dependence on $N$ is optimal up to poly-logarithmic factors.

Subject-driven text-to-image generation aims to generate customized images of the given subject based on the text descriptions, which has drawn increasing attention. Existing methods mainly resort to finetuning a pretrained generative model, where the identity-relevant information (e.g., the boy) and the identity-irrelevant information (e.g., the background or the pose of the boy) are entangled in the latent embedding space. However, the highly entangled latent embedding may lead to the failure of subject-driven text-to-image generation as follows: (i) the identity-irrelevant information hidden in the entangled embedding may dominate the generation process, resulting in the generated images heavily dependent on the irrelevant information while ignoring the given text descriptions; (ii) the identity-relevant information carried in the entangled embedding can not be appropriately preserved, resulting in identity change of the subject in the generated images. To tackle the problems, we propose DisenBooth, an identity-preserving disentangled tuning framework for subject-driven text-to-image generation. Specifically, DisenBooth finetunes the pretrained diffusion model in the denoising process. Different from previous works that utilize an entangled embedding to denoise each image, DisenBooth instead utilizes disentangled embeddings to respectively preserve the subject identity and capture the identity-irrelevant information. We further design the novel weak denoising and contrastive embedding auxiliary tuning objectives to achieve the disentanglement. Extensive experiments show that our proposed DisenBooth framework outperforms baseline models for subject-driven text-to-image generation with the identity-preserved embedding. Additionally, by combining the identity-preserved embedding and identity-irrelevant embedding, DisenBooth demonstrates more generation flexibility and controllability.

Contrastive Learning (CL) has attracted enormous attention due to its remarkable capability in unsupervised representation learning. However, recent works have revealed the vulnerability of CL to backdoor attacks: the feature extractor could be misled to embed backdoored data close to an attack target class, thus fooling the downstream predictor to misclassify it as the target. Existing attacks usually adopt a fixed trigger pattern and poison the training set with trigger-injected data, hoping for the feature extractor to learn the association between trigger and target class. However, we find that such fixed trigger design fails to effectively associate trigger-injected data with target class in the embedding space due to special CL mechanisms, leading to a limited attack success rate (ASR). This phenomenon motivates us to find a better backdoor trigger design tailored for CL framework. In this paper, we propose a bi-level optimization approach to achieve this goal, where the inner optimization simulates the CL dynamics of a surrogate victim, and the outer optimization enforces the backdoor trigger to stay close to the target throughout the surrogate CL procedure. Extensive experiments show that our attack can achieve a higher attack success rate (e.g., 99\% ASR on ImageNet-100) with a very low poisoning rate (1\%). Besides, our attack can effectively evade existing state-of-the-art defenses.

Malicious server (MS) attacks have enabled the scaling of data stealing in federated learning to large batch sizes and secure aggregation, settings previously considered private. However, many concerns regarding the client-side detectability of MS attacks were raised, questioning their practicality. In this work, for the first time, we thoroughly study client-side detectability. We first demonstrate that all prior MS attacks are detectable by principled checks, and formulate a necessary set of requirements that a practical MS attack must satisfy. Next, we propose SEER, a novel attack framework that satisfies these requirements. The key insight of SEER is the use of a secret decoder, jointly trained with the shared model. We show that SEER can steal user data from gradients of realistic networks, even for large batch sizes of up to 512 and under secure aggregation. Our work is a promising step towards assessing the true vulnerability of federated learning in real-world settings.

A fundamental challenge in physics-informed machine learning (PIML) is the design of robust PIML methods for out-of-distribution (OOD) forecasting tasks. These OOD tasks require learning-to-learn from observations of the same (ODE) dynamical system with different unknown ODE parameters, and demand accurate forecasts even under out-of-support initial conditions and out-of-support ODE parameters. In this work we propose to improve the OOD robustness of PIML via a meta-learning procedure for causal structure discovery. Using three different OOD tasks, we empirically observe that the proposed approach significantly outperforms existing state-of-the-art PIML and deep learning methods (with $2\times$ to $28\times$ lower OOD errors).

Dense Self-Supervised Learning (SSL) creates positive pairs by establishing correspondences between regions or points, thereby aiming to preserve local features, for example of individual objects.However, existing approaches tend to couple objects by leaking information from the neighboring contextual regions when the pairs have a limited overlap. In this paper, we first quantitatively identify and confirm the existence of such a coupling phenomenon. We then address it by developing a remarkably simple yet highly effective solution comprising a novel augmentation method, Region Collaborative Cutout (RCC), and a corresponding decoupling branch. Importantly, our design is versatile and can be seamlessly integrated into existing SSL frameworks, whether based on Convolutional Neural Networks (CNNs) or Vision Transformers (ViTs). We conduct extensive experiments, incorporating our solution into two CNN-based and two ViT-based methods, with results confirming the effectiveness of our approach. Moreover, we provide empirical evidence that our method significantly contributes to the disentanglement of feature representations among objects, both in quantitative and qualitative terms.

In light of the widespread success of generative models, a significant amount of research has gone into speeding up their sampling time. However, generative models are often sampled multiple times to obtain a diverse set incurring in a cost that is orthogonal to sampling time. We tackle the question of how to improve diversity and sample efficiency by moving beyond the common assumption of independent samples. For this we propose particle guidance, an extension of diffusion-based generative sampling where a joint-particle time-evolving potential enforces diversity. We analyze theoretically the joint distribution that particle guidance generates, its implications on the choice of potential, and the connections with methods in other disciplines. Empirically, we test the framework both in the setting of conditional image generation, where we are able to increase diversity without affecting quality, and molecular conformer generation, where we reduce the state-of-the-art median error by 13% on average.

To deduce new facts on knowledge graph (KG), a reasoning system learns from the graph structure and collects local evidence to find the answer. However, existing methods suffer from a severe scalability problem due to the utilization of the whole KG for reasoning, which hinders their promise on large-scale KG and cannot be directly addressed by vanilla sampling methods. In this work, we propose the one-shot subgraph reasoning to achieve efficient as well as adaptive KG reasoning. The design principle is that, instead of directly acting on the whole KG, the reasoning procedure is decoupled into two steps, i.e., (i) extracting only one query-dependent subgraph and (ii) reasoning on this single subgraph. We reveal that the non-parametric and computation-efficient heuristics Personalized PageRank (PPR) can effectively identify the potential answers and supports to the reasoning. With the promoted efficiency, we further introduce the subgraph-based searching of optimal configurations in both data and model spaces. Empirically, our method achieves promoted efficiency and also leading performances on five large-scale benchmarks.

Answering counterfactual queries has many important applications such as knowledge discovery and explainability, but is challenging when causal variables are unobserved and we only see a projection onto an observation space, for instance, image pixels. One approach is to recover the latent Structural Causal Model (SCM), but this typically needs unrealistic assumptions, such as linearity of the causal mechanisms. Another approach is to use naïve ML approximations, such as generative models, to generate counterfactual samples; however, these lack guarantees of accuracy. In this work, we strive to strike a balance between practicality and theoretical guarantees by focusing on a specific type of causal query called *domain counterfactuals*, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment). Concretely, by only assuming invertibility, sparse domain interventions and access to observational data from different domains, we aim to improve domain counterfactual estimation both theoretically and practically with less restrictive assumptions. We define *domain counterfactually equivalent* models and prove necessary and sufficient properties for equivalent models that provide a tight characterization of the domain counterfactual equivalence classes. Building upon this result, we prove that every equivalence class contains a model where all intervened variables are at the end when topologically sorted by the causal DAG, i.e., all non-intervened variables have non-intervened ancestors. This surprising result suggests that a model design that only allows intervention in the last $k$ latent variables may improve model estimation for counterfactuals. We then test this model design on extensive simulated and image-based experiments which show the sparse canonical model indeed improves counterfactual estimation over baseline non-sparse models.

Binary classification typically involves predicting the label of an instance based on whether the model score for the positive class exceeds a threshold chosen based on the application requirements (e.g., maximizing recall for a precision bound). However, model scores are often not aligned with true positivity rate. This is especially true when the training involves a differential sampling of classes or there is distributional drift between train and test settings. In this paper, we provide theoretical analysis and empirical evidence of the dependence of estimation bias on both uncertainty and model score. Further, we formulate the decision boundary selection using both model score and uncertainty, prove that it is NP-hard, and present algorithms based on dynamic programming and isotonic regression. Evaluation of the proposed algorithms on three real-world datasets yield 25\%-40\% improvement in recall at high precision bounds over the traditional approach of using model score alone, highlighting the benefits of leveraging uncertainty.

Knowledge distillation (KD) is widely used for compressing a teacher model to reduce its inference cost and memory footprint, by training a smaller student model. However, current KD methods for auto-regressive sequence models suffer from distribution mismatch between output sequences seen during training and those generated by the student during inference. To address this issue, we introduce Generalized Knowledge Distillation (GKD). Instead of solely relying on a fixed set of output sequences, GKD trains the student on its self-generated output sequences by leveraging feedback from the teacher on such sequences. Unlike supervised KD approaches, GKD also offers the flexibility to employ alternative loss functions between the student and teacher, which can be useful when the student lacks the expressivity to mimic the teacher's distribution. Furthermore, GKD facilitates the seamless integration of distillation with RL fine-tuning (RLHF). We demonstrate the efficacy of GKD for distilling auto-regressive T5 language models on summarization, translation, and arithmetic reasoning tasks.

With the advancements in Large Language Models (LLMs), Vision-Language Models (VLMs) have reached a new level of sophistication, showing notable competence in executing intricate cognition and reasoning tasks. However, existing evaluation benchmarks, primarily relying on rigid, hand-crafted datasets to measure task-specific performance, face significant limitations in assessing the alignment of these increasingly anthropomorphic models with human intelligence. In this work, we address the limitations via Auto-Bench, which delves into exploring LLMs as proficient aligners, measuring the alignment between VLMs and human intelligence and value through automatic data curation and assessment. Specifically, for data curation, Auto-Bench utilizes LLMs (e.g., GPT-4) to automatically generate a vast set of question-answer-reasoning triplets via prompting on visual symbolic representations (e.g., captions, object locations, instance relationships, and etc. The curated data closely matches human intent, owing to the extensive world knowledge embedded in LLMs. Through this pipeline, a total of 28.5K human-verified and 3,504K unfiltered question-answer-reasoning triplets have been curated, covering 4 primary abilities and 16 sub-abilities. We subsequently engage LLMs like GPT-3.5 to serve as judges, implementing the quantitative and qualitative automated assessments to facilitate a comprehensive evaluation of VLMs. Our validation results reveal that LLMs are proficient in both evaluation data curation and model assessment, achieving an average agreement rate of 85%. We envision Auto-Bench as a flexible, scalable, and comprehensive benchmark for evaluating the evolving sophisticated VLMs.

Learning representations that generalize to novel compositions of known concepts is crucial for bridging the gap between human and machine perception. One prominent effort is learning object-centric representations, which are widely conjectured to enable compositional generalization. Yet, it remains unclear when this conjecture will be true, as a principled theoretical or empirical understanding of compositional generalization is lacking. In this work, we investigate when compositional generalization is guaranteed for object-centric representations through the lens of identifiability theory. We show that autoencoders that satisfy structural assumptions on the decoder and enforce encoder-decoder consistency will learn object-centric representations that provably generalize compositionally. We validate our theoretical result and highlight the practical relevance of our assumptions through experiments on synthetic image data.

Knowledge hallucination have raised widespread concerns for the security and reliability of deployed LLMs. Previous efforts in detecting hallucinations have been employed at logit-level uncertainty estimation or language-level self-consistency evaluation, where the semantic information is inevitably lost during the token-decoding procedure. Thus, we propose to explore the dense semantic information retained within LLMs' \textbf{IN}ternal \textbf{S}tates for halluc\textbf{I}nation \textbf{DE}tection (\textbf{INSIDE}). In particular, a simple yet effective \textbf{EigenScore} metric is proposed to better evaluate responses' self-consistency, which exploits the eigenvalues of responses' covariance matrix to measure the semantic consistency/diversity in the dense embedding space. Furthermore, from the perspective of self-consistent hallucination detection, a test time feature clipping approach is explored to truncate extreme activations in the internal states, which reduces overconfident generations and potentially benefits the detection of overconfident hallucinations. Extensive experiments and ablation studies are performed on several popular LLMs and question-answering (QA) benchmarks, showing the effectiveness of our proposal.

Recent works have shown that neural networks optimized by gradient-based methods can adapt to sparse or low-dimensional target functions through feature learning; an often studied target is the sparse parity function defined on the unit hypercube. However, such isotropic data setting does not capture the anisotropy and low intrinsic dimensionality exhibited in realistic datasets. In this work, we address this shortcoming by studying how gradient-based feature learning interacts with structured (anisotropic) input data: we consider the sparse parity problem on high-dimensional orthotope where the feature coordinates have varying magnitudes, and analyze the learning complexity of the mean-field Langevin dynamics (MFLD), which describes the noisy gradient descent update on two-layer neural network. We show that the statistical complexity (i.e. sample size) and computational complexity (i.e. width of the neural network) of MFLD can both be improved when prominent directions of the anisotropic input data aligns with the support of the target function. Moreover, by employing an anisotropic weight decay regularization determined by the gradient covariance, the problem can be efficiently learned by a constant-width neural network.

Recent advances in Language Model (LM) agents and tool use, exemplified by applications like ChatGPT Plugins, enable a rich set of capabilities but also amplify potential risks—such as leaking private data or causing financial losses. Identifying these risks is labor-intensive, necessitating implementing the tools, setting up the environment for each test scenario manually, and finding risky cases. As tools and agents become more complex, the high cost of testing these agents will make it increasingly difficult to find high-stakes, long-tail risks. To address these challenges, we introduce ToolEmu: a framework that uses an LM to emulate tool execution and enables scalable testing of LM agents against a diverse range of tools and scenarios. Alongside the emulator, we develop an LM-based automatic safety evaluator that examines agent failures and quantifies associated risks. We test both the tool emulator and evaluator through human evaluation and find that 68.8% of failures identified with ToolEmu would be valid real-world agent failures. Using our curated initial benchmark consisting of 36 high-stakes toolkits and 144 test cases, we provide a quantitative risk analysis of current LM agents and identify numerous failures with potentially severe outcomes. Notably, even the safest LM agent exhibits such failures 23.9% of the time according to our evaluator, underscoring the need to develop safer LM agents for real-world deployment.

Excellent tail performance is crucial for modern machine learning tasks, such as algorithmic fairness, class imbalance, and risk-sensitive decision making, as it ensures the effective handling of challenging samples within a dataset. Tail performance is also a vital determinant of success for personalized recommender systems to reduce the risk of losing users with low satisfaction. This study introduces a "safe" collaborative filtering method that prioritizes recommendation quality for less-satisfied users rather than focusing on the average performance. Our approach minimizes the conditional value at risk (CVaR), which represents the average risk over the tails of users' loss. To overcome computational challenges for web-scale recommender systems, we develop a robust yet practical algorithm that extends the most scalable method, implicit alternating least squares (iALS). Empirical evaluation on real-world datasets demonstrates the excellent tail performance of our approach while maintaining competitive computational efficiency.

We present Point2SSM, a novel unsupervised learning approach for constructing correspondence-based statistical shape models (SSMs) directly from raw point clouds. SSM is crucial in clinical research, enabling population-level analysis of morphological variation in bones and organs. Traditional methods of SSM construction have limitations, including the requirement of noise-free surface meshes or binary volumes, reliance on assumptions or templates, and prolonged inference times due to simultaneous optimization of the entire cohort. Point2SSM overcomes these barriers by providing a data-driven solution that infers SSMs directly from raw point clouds, reducing inference burdens and increasing applicability as point clouds are more easily acquired. While deep learning on 3D point clouds has seen success in unsupervised representation learning and shape correspondence, its application to anatomical SSM construction is largely unexplored. We conduct a benchmark of state-of-the-art point cloud deep networks on the SSM task, revealing their limited robustness to clinical challenges such as noisy, sparse, or incomplete input and limited training data. Point2SSM addresses these issues through an attention-based module, providing effective correspondence mappings from learned point features. Our results demonstrate that the proposed method significantly outperforms existing networks in terms of accurate surface sampling and correspondence, better capturing population-level statistics. The source code is provided at https://github.com/jadie1/Point2SSM.

In recent years numerous methods have been developed to formally verify the robustness of deep neural networks (DNNs). Though the proposed techniques are effective in providing mathematical guarantees about the DNNs' behavior, it is not clear whether the proofs generated by these methods are human understandable. In this paper, we bridge this gap by developing new concepts, algorithms, and representations to generate human understandable insights into the internal workings of DNN robustness proofs. Leveraging the proposed method, we show that the robustness proofs of standard DNNs rely more on spurious input features as compared to the proofs of DNNs trained to be robust. Robustness proofs of the provably robust DNNs filter out a larger number of spurious input features as compared to adversarially trained DNNs, sometimes even leading to the pruning of semantically meaningful input features.The proofs for the DNNs combining adversarial and provably robust training tend to achieve the middle ground.

We introduce a method to train vision-language models for remote-sensing images without using any textual annotations. Our key insight is to use co-located internet imagery taken on the ground as an intermediary for connecting remote-sensing images and language. Specifically, we train an image encoder for remote sensing images to align with the image encoder of CLIP using a large amount of paired internet and satellite images. Our unsupervised approach enables the training of a first-of-its-kind large scale VLM for remote sensing images at two different resolutions. We show that these VLMs enable zero-shot, open-vocabulary image classification, retrieval, segmentation and visual question answering for satellite images. On each of these tasks, our VLM trained without textual annotations outperforms existing VLMs trained with supervision, with gains of up to 20\% for classification and 80\% for segmentation.

We present chain-of-knowledge (CoK), a novel framework that augments large language models (LLMs) by dynamically incorporating grounding information from heterogeneous sources. It results in more factual rationales and reduced hallucination in generation. Specifically, CoK consists of three stages: reasoning preparation, dynamic knowledge adapting, and answer consolidation. Given a knowledge-intensive question, CoK first prepares several preliminary rationales and answers while identifying the relevant knowledge domains.If there is no majority consensus among the answers from samples, CoK corrects the rationales step by step by adapting knowledge from the identified domains.These corrected rationales can plausibly serve as a better foundation for the final answer consolidation.Unlike prior studies that primarily use unstructured data, CoK also leverages structured knowledge sources such as Wikidata and tables that provide more reliable factual information.To access both unstructured and structured knowledge sources in the dynamic knowledge adapting stage, we propose an adaptive query generator that allows the generation of queries for various types of query languages, including SPARQL, SQL, and natural sentences. Moreover, to minimize error propagation between rationales, CoK corrects the rationales progressively using preceding corrected rationales to generate and correct subsequent rationales.Extensive experiments show that CoK consistently improves the performance of LLMs on knowledge-intensive tasks across different domains.

In this work, we address challenging multi-agent cooperation problems with decentralized control, raw sensory observations, costly communication, and multi-objective tasks instantiated in various embodied environments. While previous research either presupposes a cost-free communication channel or relies on a centralized controller with shared observations, we harness the commonsense knowledge, reasoning ability, language comprehension, and text generation prowess of LLMs and seamlessly incorporate them into a cognitive-inspired modular framework that integrates with perception, memory, and execution. Thus building a Cooperative Embodied Language Agent CoELA, who can plan, communicate, and cooperate with others to accomplish long-horizon tasks efficiently. Our experiments on C-WAH and TDW-MAT demonstrate that CoELA driven by GPT-4 can surpass strong planning-based methods and exhibit emergent effective communication. Though current Open LMs like LLAMA-2 still underperform, we fine-tune a CoLLAMA with data collected with our agents and show how they can achieve promising performance. We also conducted a user study for human-agent interaction and discovered that CoELA communicating in natural language can earn more trust and cooperate more effectively with humans. Our research underscores the potential of LLMs for future research in multi-agent cooperation. Videos can be found on the project website https://llm-co.github.io/CoELA/ .

Federated Learning (FL) models typically suffer from client drift caused by heterogeneous data, where data distributions vary with clients. To this end, advanced works mainly focus on manipulating exist gradients to obtain more similar client models. In this paper, we propose a different view of client drift and correct it by producing better local models. First, we analyze the generalization contribution of local training and conclude that the generalization contribution of local training is bounded by the conditional Wasserstein distance between clients' data distributions. Then, we propose FedImpro, to constructs similar conditional distributions for local training. Specifically, FedImpro decouples the model into high-level and low-level parts and trains the high-level part on reconstructed feature distributions, causing promoted generalization contribution and alleviated gradient dissimilarity of FL. Experimental results demonstrate that FedImpro can help FL defend against data heterogeneity and improve model generalization

State-of-the-art language models are becoming increasingly large in an effort to achieve the highest performance on large corpora of available textual data. However, the sheer size of the Transformer architectures makes it difficult to deploy models within computational, environmental or device-specific constraints. We explore data-driven compression of existing pretrained models as an alternative to training smaller models from scratch. To do so, we scale Kronecker-factored curvature approximations of the target loss landscape to large language models. In doing so, we can compute both the dynamic allocation of structures that can be removed as well as updates of remaining weights that account for the removal. We provide a general framework for unstructured, semi-structured and structured pruning and improve upon weight updates to capture more correlations between weights, while remaining computationally efficient. Experimentally, our method can prune rows and columns from a range of OPT models and Llamav2-7B by 20\%-30\%, with a negligible loss in performance, and achieve state-of-the-art results in unstructured and semi-structured pruning of large language models. We will open source our code on GitHub upon acceptance.

In deep learning, test-time adaptation has gained attention as a method for model fine-tuning without the need for labeled data. A prime exemplification is the recently proposed test-time prompt tuning for large-scale vision-language models such as CLIP. Unfortunately, these prompts have been mainly developed to improve accuracy, overlooking the importance of calibration—a crucial aspect for quantifying prediction uncertainty. However, traditional calibration methods rely on substantial amounts of labeled data, making them impractical for test-time scenarios. To this end, this paper explores calibration during test-time prompt tuning by leveraging the inherent properties of CLIP. Through a series of observations, we find that the prompt choice significantly affects the calibration in CLIP, where the prompts leading to higher text feature dispersion result in better-calibrated predictions. Introducing the Average Text Feature Dispersion (ATFD), we establish its relationship with calibration error and present a novel method, Calibrated Test-time Prompt Tuning (C-TPT), for optimizing prompts during test-time with enhanced calibration. Through extensive experiments on different CLIP architectures and datasets, we show that C-TPT can effectively improve the calibration of test-time prompt tuning without needing labeled data. The code will be publicly available.

We introduce $\mathcal{L}_1$-MBRL, a control-theoretic augmentation scheme for Model-Based Reinforcement Learning (MBRL) algorithms. Unlike model-free approaches, MBRL algorithms learn a model of the transition function using data and use it to design a control input. Our approach generates an approximate control-affine model of the learned transition function according to the switching law. Using the approximate model, control input produced by the underlying MBRL is perturbed by the $\mathcal{L}_1$ adaptive control, which is designed to enhance the robustness of the system against uncertainties. Importantly, this approach is agnostic to the choice of MBRL algorithm, which enables the utilization of the scheme in various MBRL algorithms. Our method exhibits superior performance and sample efficiency on multiple MuJoCo environments, both with and without system noise, as demonstrated through numerical simulations.

Synthetic data (Sim) drawn from simulators have emerged as a popular alternative for training models where acquiring annotated real-world images is difficult. However, transferring models trained on synthetic images to real-world applications can be challenging due to appearance disparities. A commonly employed solution to counter this Sim2Real gap is unsupervised domain adaptation, where models are trained using labeled Sim data and unlabeled Real data. Mispredictions made by such Sim2Real adapted models are often associated with miscalibration – stemming from overconfident predictions on real data. In this paper, we introduce AUGCAL, a simple training-time patch for unsupervised adaptation that improves Sim2Real adapted models by – (1) reducing overall miscalibration, (2) reducing overconfidence in incorrect predictions and (3) improving confidence score reliability by better guiding misclassification detection – all while retaining or improving Sim2Real performance. Given a base Sim2Real adaptation algorithm, at training time, AUGCAL involves replacing vanilla Sim images with strongly augmented views (AUG intervention) and additionally optimizing for a training time calibration loss on augmented Sim predictions (CAL intervention). We motivate AUGCAL using a brief analytical justification of how to reduce miscalibration on unlabeled Real data. Through our experiments, we empirically show the efficacy of AUGCAL across multiple adaptation methods, backbones, tasks and shifts.

Recently, numerous graph neural network methods have been developed to tackle domain shifts in graph data. However, these methods presuppose that unlabeled target graphs belong to categories previously seen in the source domain. This assumption could not hold true for in-the-wild target graphs. In this paper, we delve deeper to explore a more realistic problem open-set graph domain adaptation. Our objective is to not only identify target graphs from new categories but also accurately classify remaining target graphs into their respective categories under domain shift and label scarcity. To address this challenging problem, we introduce a novel method named Dual Structured Exploration with Mixup (DREAM). DREAM incorporates a graph-level representation learning branch as well as a subgraph-enhanced branch, which jointly explores graph topological structures from both global and local viewpoints. To maximize the use of unlabeled target graphs, we train these two branches simultaneously using posterior regularization to enhance their inter-module consistency. To accommodate the open-set setting, we amalgamate dissimilar samples to generate virtual unknown samples belonging to novel classes. Moreover, to alleviate domain shift, we establish a k nearest neighbor-based graph-of-graphs and blend multiple neighbors of each sample to produce cross-domain virtual samples for inter-domain consistency learning. Extensive experiments validate the effectiveness of our proposed DREAM compared with various state-of-the-art approaches in different settings.

There has been a recent surge of interest in developing generally-capable agents that can adapt to new tasks without additional training in the environment. Learning world models from reward-free exploration is a promising approach, and enables policies to be trained using imagined experience for new tasks. However, achieving a general agent requires robustness across different environments. In this work, we address the novel problem of generating curricula in the reward-free setting to train robust world models. We consider robustness in terms of minimax regret over all environment instantiations and show that the minimax regret can be connected to minimising the maximum error in the world model across environment instances. This result informs our algorithm, WAKER: Weighted Acquisition of Knowledge across Environments for Robustness. WAKER selects environments for data collection based on the estimated error of the world model for each environment. Our experiments demonstrate that WAKER outperforms naı̈ve domain randomisation, resulting in improved robustness, efficiency, and generalisation.

Unobserved confounding is common in many applications, making causal inference from observational data challenging. As a remedy, causal sensitivity analysis is an important tool to draw causal conclusions under unobserved confounding with mathematical guarantees. In this paper, we propose NeuralCSA, a neural framework for generalized causal sensitivity analysis. Unlike previous work, our framework is compatible with (i) a large class of sensitivity models, including the marginal sensitivity model, $f$-sensitivity models, and Rosenbaum's sensitivity model; (ii) different treatment types (i.e., binary and continuous); and (iii) different causal queries, including (conditional) average treatment effects and simultaneous effects on multiple outcomes. This generality is achieved by learning a latent distribution shift that corresponds to a treatment intervention using two conditional normalizing flows. We provide theoretical guarantees that NeuralCSA is able to infer valid bounds on the causal query of interest and also demonstrate this empirically using both simulated and real-world data.

The variational autoencoder (VAE) typically employs a standard normal prior as a regularizer for the probabilistic latent encoder. However, the Gaussian tail often decays too quickly to effectively accommodate the encoded points, failing to preserve crucial structures hidden in the data. In this paper, we explore the use of heavy-tailed models to combat over-regularization. Drawing upon insights from information geometry, we propose $t^3$VAE, a modified VAE framework that incorporates Student's t-distributions for the prior, encoder, and decoder. This results in a joint model distribution of a power form which we argue can better fit real-world datasets. We derive a new objective by reformulating the evidence lower bound as joint optimization of a KL divergence between two statistical manifolds and replacing with $\gamma$-power divergence, a natural alternative for power families. $t^3$VAE demonstrates superior generation of low-density regions when trained on heavy-tailed synthetic data. Furthermore, we show that our model excels at capturing rare features through real-data experiments on CelebA and imbalanced CIFAR datasets.

Despite the remarkable advances in language modeling, current mainstream decoding methods still struggle to generate texts that align with human texts across different aspects. In particular, sampling-based methods produce less-repetitive texts which are often disjunctive in discourse, while search-based methods maintain topic coherence at the cost of increased repetition. Overall, these methods fall short in achieving holistic alignment across a broad range of aspects. In this work, we frame decoding from a language model as an optimization problem with the goal of strictly matching the expected performance with human texts measured by multiple metrics of desired aspects simultaneously. The resulting decoding distribution enjoys an analytical solution that scales the input language model distribution via a sequence-level energy function defined by these metrics. And most importantly, we prove that this induced distribution is guaranteed to improve the perplexity on human texts, which suggests a better approximation to the underlying distribution of human texts. To facilitate tractable sampling from this globally normalized distribution, we adopt the Sampling-Importance-Resampling technique. Experiments on various domains and model scales demonstrate the superiority of our method in metrics alignment with human texts and human evaluation over strong baselines.

We consider the optimization of complex performance metrics in multi-label classification under the population utility framework. We mainly focus on metrics linearly decomposable into a sum of binary classification utilities applied separately to each label with an additional requirement of exactly $k$ labels predicted for each instance. These ``macro-at-$k$'' metrics possess desired properties for extreme classification problems with long tail labels. Unfortunately, the at-$k$ constraint couples the otherwise independent binary classification tasks, leading to a much more challenging optimization problem than standard macro-averages. We provide a statistical framework to study this problem, prove the existence and the form of the optimal classifier, and propose a statistically consistent and practical learning algorithm based on the Frank-Wolfe method. Interestingly, our main results concern even more general metrics being non-linear functions of label-wise confusion matrices. Empirical results provide evidence for the competitive performance of the proposed approach.

The role of data in building AI systems has recently been emphasized by the emerging concept of data-centric AI. Unfortunately, in the real-world, datasets may contain dirty samples, such as poisoned samples from backdoor attack, noisy labels in crowdsourcing, and even hybrids of them. The presence of such dirty samples makes the DNNs vunerable and unreliable. Hence, it is critical to detect dirty samples to improve the quality and realiability of dataset. Existing detectors only focus on detecting poisoned samples or noisy labels, that are often prone to weak generalization when dealing with dirty samples from other fields. In this paper, we find a commonality of various dirty samples is visual-linguistic inconsistency between images and associated labels. To capture the semantic inconsistency between modalities, we propose versatile data cleanser (VDC) leveraging the surpassing capabilities of multimodal large language models (MLLM) in cross-modal alignment and reasoning. It consists of three consecutive modules: the visual question generation module to generate insightful questions about the image; the visual question answering module to acquire the semantics of the visual content by answering the questions with MLLM; followed by the visual answer evaluation module to evaluate the inconsistency. Extensive experiments demonstrate its superior performance and generalization to various categories and types of dirty samples.

In order to solve a task using reinforcement learning, it is necessary to first formalise the goal of that task as a reward function. However, for many real-world tasks, it is very difficult to manually specify a reward function that never incentivises undesirable behaviour. As a result, it is increasingly popular to use reward learning algorithms, which attempt to learn a reward function from data. However, the theoretical foundations of reward learning are not yet well-developed. In particular, it is typically not known when a given reward learning algorithm with high probability will learn a reward function that is safe to optimise. This means that reward learning algorithms generally must be evaluated empirically, which is expensive, and that their failure modes are difficult to predict in advance. One of the roadblocks to deriving better theoretical guarantees is the lack of good methods for quantifying the difference between reward functions. In this paper we provide a solution to this problem, in the form of a class of pseudometrics on the space of all reward functions that we call STARC (STAndardised Reward Comparison) metrics. We show that STARC metrics induce both an upper and a lower bound on worst-case regret, which implies that our metrics are tight, and that any metric with the same properties must be bilipschitz equivalent to ours. Moreover, we also identify a number of issues with reward metrics proposed by earlier works. Finally, we evaluate our metrics empirically, to demonstrate their practical efficacy. STARC metrics can be used to make both theoretical and empirical analysis of reward learning algorithms both easier and more principled.

We introduce SocioDojo, an open-ended lifelong learning environment for developing ready-to-deploy autonomous agents capable of performing human-like analysis and decision-making on societal topics such as economics, finance, politics, and culture. It consists of (1) information sources from news, social media, reports, etc., (2) a knowledge base built from books, journals, and encyclopedias, plus a toolbox of Internet and knowledge graph search interfaces, (3) 30K high-quality time series in finance, economy, society, and polls, which support a novel task called "hyperportfolio", that can reliably and scalably evaluate societal analysis and decision-making power of agents, inspired by portfolio optimization with time series as assets to "invest". We also propose a novel Analyst-Assistant-Actuator architecture for the hyperportfolio task, and a Hypothesis & Proof prompting for producing in-depth analyses on input news, articles, etc. to assist decision-making. We perform experiments and ablation studies to explore the factors that impact performance. The results show that our proposed method achieves improvements of 32.4% and 30.4% compared to the state-of-the-art method in the two experimental settings.

In the realm of generative models for graphs, extensive research has been conducted. However, most existing methods struggle with large graphs due to the complexity of representing the entire joint distribution across all node pairs and capturing both global and local graph structures simultaneously.To overcome these issues, we introduce a method that generates a graph by progressively expanding a single node to a target graph. In each step, nodes and edges are added in a localized manner through denoising diffusion, building first the global structure, and then refining the local details. The local generation avoids modeling the entire joint distribution over all node pairs, achieving substantial computational savings with subquadratic runtime relative to node count while maintaining high expressivity through multiscale generation.Our experiments show that our model achieves state-of-the-art performance on well-established benchmark datasets while successfully scaling to graphs with at least 5000 nodes. Our method is also the first to successfully extrapolate to graphs outside of the training distribution, showcasing a much better generalization capability over existing methods.

We uncover a surprising phenomenon in deep reinforcement learning: training a diverse ensemble of data-sharing agents -- a well-established exploration strategy -- can significantly impair the performance of the individual ensemble members when compared to standard single-agent training. Through careful analysis, we attribute the degradation in performance to the low proportion of self-generated data in the shared training data for each ensemble member, as well as the inefficiency of the individual ensemble members to learn from such highly off-policy data. We thus name this phenomenon the curse of diversity. We find that several intuitive solutions -- such as a larger replay buffer or a smaller ensemble size -- either fail to consistently mitigate the performance loss or undermine the advantages of ensembling. Finally, we demonstrate the potential of representation learning to counteract the curse of diversity with a novel method named Cross-Ensemble Representation Learning (CERL) in both discrete and continuous control domains. Our work offers valuable insights into an unexpected pitfall in ensemble-based exploration and raises important caveats for future applications of similar approaches.

Human motion stylization aims to revise the style of an input motion while keeping its content unaltered. Unlike existing works that operate directly in pose space, we leverage the \textit{latent space} of pretrained autoencoders as a more expressive and robust representation for motion extraction and infusion. Building upon this, we present a novel \textit{generative} model that produces diverse stylization results of a single motion (latent) code. During training, a motion code is decomposed into two coding components: a deterministic content code, and a probabilistic style code adhering to a prior distribution; then a generator massages the random combination of content and style codes to reconstruct the corresponding motion codes. Our approach is versatile, allowing the learning of probabilistic style space from either style labeled or unlabeled motions, providing notable flexibility in stylization as well. In inference, users can opt to stylize a motion using style cues from a reference motion or a label. Even in the absence of explicit style input, our model facilitates novel re-stylization by sampling from the unconditional style prior distribution. Experimental results show that our proposed stylization models, despite their lightweight design, outperform the state-of-the-arts in style reeanactment, content preservation, and generalization across various applications and settings.

Cascaded models are multi-scale generative models with a marked capacity for producing perceptually impressive samples at high resolutions. In this work, we show that they can also be excellent likelihood models, so long as we overcome a fundamental difficulty with probabilistic multi-scale models: the intractability of the likelihood function. Chiefly, in cascaded models each intermediary scale introduces extraneous variables that cannot be tractably marginalized out for likelihood evaluation. This issue vanishes by modeling the diffusion process on latent spaces induced by a class of transformations we call hierarchical volume-preserving maps, which decompose spatially structured data in a hierarchical fashion without introducing local distortions in the latent space. We demonstrate that two such maps are well-known in the literature for multiscale modeling: Laplacian pyramids and wavelet transforms. Not only do such reparameterizations allow the likelihood function to be directly expressed as a joint likelihood over the scales, we show that the Laplacian pyramid and wavelet transform also produces significant improvements to the state-of-the-art on a selection of benchmarks in likelihood modeling, including density estimation, lossless compression, and out-of-distribution detection. Investigating the theoretical basis of our empirical gains we uncover deep connections to score matching under the Earth Mover's Distance (EMD), which is a well-known surrogate for perceptual similarity.

The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing empirically derived force fields, MC or MD simulations explore the conformational space through numerically evolving the system via Markov chain or Newtonian mechanics. However, the high-energy barrier of the force fields can hamper the exploration of both methods by the rare event, resulting in inadequately sampled ensemble without exhaustive running. Existing learning-based approaches perform direct sampling yet heavily rely on target-specific simulation data for training, which suffers from high data acquisition cost and poor generalizability. Inspired by simulated annealing, we propose Str2Str, a novel structure-to-structure translation framework capable of zero-shot conformation sampling with roto-translation equivariant property. Our method leverages an amortized denoising score matching objective trained on general crystal structures and has no reliance on simulation data during both training and inference. Experimental results across several benchmarking protein systems demonstrate that Str2Str outperforms previous state-of-the-art generative structure prediction models and can be orders of magnitude faster compared with long MD simulations.

Saliency-based representation visualization (SRV) ($e.g.$, Grad-CAM) is one of the most classical and widely adopted explainable artificial intelligence (XAI) methods for its simplicity and efficiency. It can be used to interpret deep neural networks by locating saliency areas contributing the most to their predictions. However, it is difficult to automatically measure and evaluate the performance of SRV methods due to the lack of ground-truth salience areas of samples. In this paper, we revisit the backdoor-based SRV evaluation, which is currently the only feasible method to alleviate the previous problem. We first reveal its \emph{implementation limitations} and \emph{unreliable nature} due to the trigger generalization of existing backdoor watermarks. Given these findings, we propose a generalization-limited backdoor watermark (GLBW), based on which we design a more faithful XAI evaluation. Specifically, we formulate the training of watermarked DNNs as a min-max problem, where we find the `worst' potential trigger (with the highest attack effectiveness and differences from the ground-truth trigger) via inner maximization and minimize its effects and the loss over benign and poisoned samples via outer minimization in each iteration. In particular, we design an adaptive optimization method to find desired potential triggers in each inner maximization. Extensive experiments on benchmark datasets are conducted, verifying the effectiveness of our generalization-limited watermark.

The recent GPT-4 has demonstrated extraordinary multi-modal abilities, such as directly generating websites from handwritten text and identifying humorous elements within images. These features are rarely observed in previous vision-language models. However, the technical details behind GPT-4 continue to remain undisclosed.We believe that the enhanced multi-modal generation capabilities of GPT-4 stem from the utilization of sophisticated large language models (LLM). To examine this phenomenon, we present MiniGPT-4, which aligns a frozen visual encoder with a frozen advanced LLM, Vicuna, using one projection layer. Our work, for the first time, uncovers that properly aligning the visual features with an advanced large language model can possess numerous advanced multi-modal abilities demonstrated by GPT-4, such as detailed image description generation and website creation from hand-drawn drafts.Furthermore, we also observe other emerging capabilities in MiniGPT-4, including writing stories and poems inspired by given images, teaching users how to cook based on food photos, and so on. In our experiment, we found that the model trained on short image caption pairs could produce unnatural language outputs (e.g., repetition and fragmentation). To address this problem, we curate a detailed image description dataset in the second stage to finetune the model, which consequently improves the model's generation reliability and overall usability.

Online-Within-Online (OWO) meta learning stands for the online multi-task learning paradigm in which both tasks and data within each task become available in a sequential order. In this work, we study the OWO meta learning of the initialization and step size of within-task online algorithms in the non-convex setting, and provide improved regret bounds under mild assumptions of loss functions. Previous work analyzing this scenario has obtained for bounded and piecewise Lipschitz functions an averaged regret bound $O((\frac{\sqrt{m}}{T^{1/4}}+\frac{(\log{m})\log{T}}{\sqrt{T}}+V)\sqrt{m})$ across $T$ tasks, with $m$ iterations per task and $V$ the task similarity. Our first contribution is to modify the existing non-convex OWO meta learning algorithm and improve the regret bound to $O((\frac{1}{T^{1/2-\alpha}}+\frac{(\log{T})^{9/2}}{T}+V)\sqrt{m})$, for any $\alpha \in (0,1/2)$. The derived bound has a faster convergence rate with respect to $T$, and guarantees a vanishing task-averaged regret with respect to $m$ (for any fixed $T$). Then, we propose a new algorithm of regret $O((\frac{\log{T}}{T}+V)\sqrt{m})$ for non-convex OWO meta learning. This regret bound exhibits a better asymptotic performance than previous ones, and holds for any bounded (not necessarily Lipschitz) loss functions. Besides the improved regret bounds, our contributions include investigating how to attain generalization bounds for statistical meta learning via regret analysis. Specifically, by online-to-batch arguments, we achieve a transfer risk bound for batch meta learning that assumes all tasks are drawn from a distribution. Moreover, by connecting multi-task generalization error with task-averaged regret, we develop for statistical multi-task learning a novel PAC-Bayes generalization error bound that involves our regret bound for OWO meta learning.

Large language models (LMs) are capable of generating free-text rationales to aid question answering. However, prior work 1) suggests that useful self-rationalization is emergent only at significant scales (e.g., 175B parameter GPT-3); and 2) focuses largely on downstream performance, ignoring the semantics of the rationales themselves, e.g., are they faithful, true, and helpful for humans? In this work, we enable small-scale LMs (∼200x smaller than GPT-3) to generate rationales that not only improve downstream task performance, but are also more plausible, consistent, and diverse, assessed both by automatic and human evaluation. Our method, MaRio (Multi-rewArd RatIOnalization), is a multi-reward conditioned self-rationalization algorithm that optimizes multiple distinct properties like plausibility, diversity and consistency. Results on three difficult question-answering datasets StrategyQA, QuaRel and OpenBookQA show that not only does MaRio improve task accuracy, but it also improves the self-rationalization quality of small LMs across the aforementioned axes better than a supervised fine-tuning (SFT) baseline. Extensive human evaluations confirm that MaRio rationales are preferred vs. SFT rationales, as well as qualitative improvements in plausibility and consistency.

Video activity localization aims at understanding the semantic content in long, untrimmed videos and retrieving actions of interest. The retrieved action with its start and end locations can be used for highlight generation, temporal action detection, etc. Unfortunately, learning the exact boundary location of activities is highly challenging because temporal activities are continuous in time, and there are often no clear-cut transitions between actions. Moreover, the definition of the start and end of events is subjective, which may confuse the model. To alleviate the boundary ambiguity, we propose to study the video activity localization problem from a denoising perspective. Specifically, we propose an encoder-decoder model named DenosieLoc. During training, a set of action spans is randomly generated from the ground truth with a controlled noise scale. Then, we attempt to reverse this process by boundary denoising, allowing the localizer to predict activities with precise boundaries and resulting in faster convergence speed. Experiments show that DenosieLoc advances several video activity understanding tasks. For example, we observe a gain of +12.36% average mAP on the QV-Highlights dataset.Moreover, DenosieLoc achieves state-of-the-art performance on the MAD dataset but with much fewer predictions than others.

Extending the context window of large language models (LLMs) is getting popular recently, while the solution of augmenting LLMs with retrieval has existed for years. The natural questions are: i) Retrieval-augmentation versus long context window, which one is better for downstream tasks? ii) Can both methods be combined to get the best of both worlds? In this work, we answer these questions by studying both solutions using two state-of-the-art pretrained LLMs, i.e., a proprietary 43B GPT and Llama2-70B. Perhaps surprisingly, we find that LLM with 4K context window using simple retrieval-augmentation at generation can achieve comparable performance to finetuned LLM with 16K context window via positional interpolation on long context tasks, while taking much less computation. More importantly, we demonstrate that retrieval can significantly improve the performance of LLMs regardless of their extended context window sizes. Our best model, retrieval-augmented Llama2-70B with 32K context window, outperforms GPT-3.5-turbo-16k and Davinci003 in terms of average score on nine long context tasks including question answering, query-based summarization, and in-context few-shot learning tasks. It also outperforms its non-retrieval Llama2-70B-32k baseline by a margin, while being much faster at generation. Our study provides general insights on the choice of retrieval-augmentation versus long context extension of LLM for practitioners.

A simple design recipe for deep Transformers is to compose identical building blocks. But standard transformer blocks are far from simple, interweaving attention and MLP sub-blocks with skip connections \& normalisation layers in precise arrangements. This complexity leads to brittle architectures, where seemingly minor changes can significantly reduce training speed, or render models untrainable.In this work, we ask to what extent the standard transformer block can be simplified? Combining signal propagation theory and empirical observations, we motivate modifications that allow many block components to be removed with no loss of training speed, including skip connections, projection or value parameters, sequential sub-blocks and normalisation layers. In experiments on both autoregressive decoder-only and BERT encoder-only models, our simplified transformers match the per-iteration training speed and performance of standard transformers, while enjoying 15\% faster training throughput, and using 15\% fewer parameters.

The capacity of a modern deep learning system to determine if a sample falls within its realm of knowledge is fundamental and important.In this paper, we offer insights and analyses of recent state-of-the-art out-of-distribution (OOD) detection methods - extremely simple activation shaping (ASH). We demonstrate that activation pruning has a detrimental effect on OOD detection, while activation scaling enhances it. Moreover, we propose SCALE, a simple yet effective post-hoc network enhancement method for OOD detection, which attains state-of-the-art OOD detection performance without compromising in-distribution (ID) accuracy. By integrating scaling concepts into the training process to capture a sample's ID characteristics, we propose Intermediate Tensor SHaping (ISH), a lightweight method for training time OOD detection enhancement. We achieve AUROC scores of +1.85\% for near-OOD and +0.74\% for far-OOD datasets on the OpenOOD v1.5 ImageNet-1K benchmark.

The advent of Large Language Models (LLMs) has made a transformative impact. However, the potential that LLMs such as ChatGPT can be exploited to generate misinformation has posed a serious concern to online safety and public trust. A fundamental research question is: will LLM-generated misinformation cause more harm than human-written misinformation? We propose to tackle this question from the perspective of detection difficulty. We first build a taxonomy of LLM-generated misinformation. Then we categorize and validate the potential real-world methods for generating misinformation with LLMs. Then, through extensive empirical investigation, we discover that LLM-generated misinformation can be harder to detect for humans and detectors compared to human-written misinformation with the same semantics, which suggests it can have more deceptive styles and potentially cause more harm. We also discuss the implications of our discovery on combating misinformation in the age of LLMs and the countermeasures.

One-shot Federated Learning (OFL) has become a promising learning paradigm, enabling the training of a global server model via a single communication round. In OFL, the server model is aggregated by distilling knowledge from all client models (the ensemble), which are also responsible for synthesizing samples for distillation. In this regard, advanced works show that the performance of the server model is intrinsically related to the quality of the synthesized data and the ensemble model. To promote OFL, we introduce a novel framework, Co-Boosting, in which synthesized data and the ensemble model mutually enhance each other progressively. Specifically, Co-Boosting leverages the current ensemble model to synthesize higher-quality samples in an adversarial attack manner. These hard samples are then employed to promote the quality of the ensemble model by adjusting the ensembling weights for each client model. Consequently, Co-Boosting periodically achieves high-quality data and ensemble models. Extensive experiments demonstrate that Co-Boosting can substantially outperform existing baselines under various settings. Moreover, Co-Boosting eliminates the need for adjustments to the client's local training, requires no additional data or model transmission, and allows client models to have heterogeneous architectures.

Traveling waves of neural activity have been observed throughout the brain at a diversity of regions and scales; however, their precise computational role is still debated. One physically grounded hypothesis suggests that the cortical sheet may act like a wave-field capable of invertibly storing a short-term memory of sequential stimuli through induced waves traveling across the cortical surface, and indeed many experimental results from neuroscience correlate wave activity with memory tasks. To date, however, the computational implications of this idea have remained hypothetical due to the lack of a simple recurrent neural network architecture capable of exhibiting such waves. In this work, we introduce a model to fill this gap, which we denote the Wave-RNN (wRNN), and demonstrate how such an architecture indeed efficiently encodes the recent past through a suite of synthetic memory tasks where wRNNs learn faster and reach significantly lower error than wave-free counterparts. We further explore the implications of this memory storage system on more complex sequence modeling tasks such as sequential image classification and find that wave-based models not only again outperform comparable wave-free RNNs while using significantly fewer parameters, but additionally perform comparably to more complex gated architectures such as LSTMs and GRUs.

In federated learning (FL), clients usually have diverse participation statistics that are unknown a priori, which can significantly harm the performance of FL if not handled properly. Existing works aiming at addressing this problem are usually based on global variance reduction, which requires a substantial amount of additional memory in a multiplicative factor equal to the total number of clients. An important open problem is to find a lightweight method for FL in the presence of clients with unknown participation rates. In this paper, we address this problem by adapting the aggregation weights in federated averaging (FedAvg) based on the participation history of each client. We first show that, with heterogeneous participation statistics, FedAvg with non-optimal aggregation weights can diverge from the optimal solution of the original FL objective, indicating the need of finding optimal aggregation weights. However, it is difficult to compute the optimal weights when the participation statistics are unknown. To address this problem, we present a new algorithm called FedAU, which improves FedAvg by adaptively weighting the client updates based on online estimates of the optimal weights without knowing the statistics of client participation. We provide a theoretical convergence analysis of FedAU using a novel methodology to connect the estimation error and convergence. Our theoretical results reveal important and interesting insights, while showing that FedAU converges to an optimal solution of the original objective and has desirable properties such as linear speedup. Our experimental results also verify the advantage of FedAU over baseline methods with various participation patterns.

Multi-Task Reinforcement Learning (MTRL) tackles the long-standing problem of endowing agents with skills that generalize across a variety of problems. To this end, sharing representations plays a fundamental role in capturing both unique and common characteristics of the tasks. Tasks may exhibit similarities in terms of skills, objects, or physical properties while leveraging their representations eases the achievement of a universal policy. Nevertheless, the pursuit of learning a shared set of diverse representations is still an open challenge. In this paper, we introduce a novel approach for representation learning in MTRL that encapsulates common structures among the tasks using orthogonal representations to promote diversity. Our method, named Mixture Of Orthogonal Experts (MOORE), leverages a Gram-Schmidt process to shape a shared subspace of representations generated by a mixture of experts. When task-specific information is provided, MOORE generates relevant representations from this shared subspace. We assess the effectiveness of our approach on two MTRL benchmarks, namely MiniGrid and MetaWorld, showing that MOORE surpasses related baselines and establishes a new state-of-the-art result on MetaWorld.

Adversarial attacks have been a looming and unaddressed threat in the industry. However, through a decade-long history of the robustness evaluation literature, we have learned that mounting a strong or optimal attack is challenging. It requires both machine learning and domain expertise. In other words, the white-box threat model, religiously assumed by a large majority of the past literature, is unrealistic. In this paper, we propose a new practical threat model where the adversary relies on transfer attacks through publicly available surrogate models. We argue that this setting will become the most prevalent for security-sensitive applications in the future. We evaluate the transfer attacks in this setting and propose a specialized defense method based on a game-theoretic perspective. The defenses are evaluated under 24 public models and 11 attack algorithms across three datasets (CIFAR-10, CIFAR-100, and ImageNet). Under this threat model, our defense, PubDef, outperforms the state-of-the-art white-box adversarial training by a large margin with almost no loss in the normal accuracy. For instance, on ImageNet, our defense achieves 62% accuracy under the strongest transfer attack vs only 36% of the best adversarially trained model. Its accuracy when not under attack is only 2% lower than that of an undefended model (78% vs 80%).

Modern language models can imitate complex patterns through few-shot learning, enabling them to complete challenging tasks without fine-tuning. However, imitation can also lead models to reproduce inaccuracies or harmful content if present in the context. We study harmful imitation through the lens of a model’s internal representations, and identify two related phenomena: overthinking and false induction heads. The first phenomenon, overthinking, appears when we decode predictions from intermediate layers, given correct vs. incorrect few-shot demonstrations. At early layers, both demonstrations induce similar model behavior, but the behavior diverges sharply at some “critical layer”, after which the accuracy given incorrect demonstrations progressively decreases. The second phenomenon, false induction heads, are a possible mechanistic cause of overthinking: these are heads in late layers that attend to and copy false information from previous demonstrations, and whose ablation reduces overthinking. Beyond scientific understanding, our results suggest that studying intermediate model computations could be a promising avenue for understanding and guarding against harmful model behaviors.

Large transformer models pretrained on offline reinforcement learning datasets have demonstrated remarkable in-context reinforcement learning (ICRL) capabilities, where they can make good decisions when prompted with interaction trajectories from unseen environments. However, when and how transformers can be trained to perform ICRL have not been theoretically well-understood. In particular, it is unclear which reinforcement-learning algorithms transformers can perform in context, and how distribution mismatch in offline training data affects the learned algorithms. This paper provides a theoretical framework that analyzes supervised pretraining for ICRL. This includes two recently proposed training methods --- algorithm distillation and decision-pretrained transformers. First, assuming model realizability, we prove the supervised-pretrained transformer will imitate the conditional expectation of the expert algorithm given the observed trajectory. The generalization error will scale with model capacity and a distribution divergence factor between the expert and offline algorithms. Second, we show transformers with ReLU attention can efficiently approximate near-optimal online reinforcement learning algorithms like LinUCB and Thompson sampling for stochastic linear bandits, and UCB-VI for tabular Markov decision processes. This provides the first quantitative analysis of the ICRL capabilities of transformers pretrained from offline trajectories.

Integrating a notion of symmetry into point cloud neural networks is a provably effective way to improve their generalization capability. Of particular interest are $E(3)$ equivariant point cloud networks where Euclidean transformations applied to the inputs are preserved in the outputs. Recent efforts aim to extend networks that are equivariant with respect to a single global $E(3)$ transformation, to accommodate inputs made of multiple parts, each of which exhibits local $E(3)$ symmetry.In practical settings, however, the partitioning into individually transforming regions is unknown a priori.Errors in the partition prediction would unavoidably map to errors in respecting the true input symmetry. Past works have proposed different ways to predict the partition, which may exhibit uncontrolled errors in their ability to maintain equivariance to the actual partition. To this end, we introduce APEN: a general framework for constructing approximate piecewise-$E(3)$ equivariant point networks. Our framework offers an adaptable design to guaranteed bounds on the resulting piecewise $E(3)$ equivariance approximation errors.Our primary insight is that functions which are equivariant with respect to a finer partition (compared to the unknown true partition) will also maintain equivariance in relation to the true partition. Leveraging this observation, we propose a compositional design for a partition prediction model. It initiates with a fine partition and incrementally transitions towards a coarser subpartition of the true one, consistently maintaining piecewise equivariance in relation to the current partition.As a result, the equivariance approximation error can be bounded solely in terms of (i) uncertainty quantification of the partition prediction, and (ii) bounds on the probability of failing to suggest a proper subpartition of the ground truth one.We demonstrate the practical effectiveness of APEN using two data types exemplifying part-based symmetry: (i) real-world scans of room scenes containing multiple furniture-type objects; and, (ii) human motions, characterized by articulated parts exhibiting rigid movement. Our empirical results demonstrate the advantage of integrating piecewise $E(3)$ symmetry into network design, showing a distinct improvement in generalization over prior works in terms of generalization accuracy for both classification and segmentation tasks.

We study online reinforcement learning in linear Markov decision processes with adversarial losses and bandit feedback. We introduce two algorithms that achieve improved regret performance compared to existing approaches. The first algorithm, although computationally inefficient, achieves a regret of $\widetilde{O}(\sqrt{K})$ without relying on simulators, where $K$ is the number of episodes. This is the first rate-optimal result in the considered setting. The second algorithm is computationally efficient and achieves a regret of $\widetilde{O}(K^{\frac{3}{4}})$ . These results significantly improve over the prior state-of-the-art: a computationally inefficient algorithm by Kong et al. (2023) with $\widetilde{O}(K^{\frac{4}{5}}+1/\lambda_{\min})$ regret, and a computationally efficient algorithm by Sherman et al. (2023b) with $\widetilde{O}(K^{\frac{6}{7}})$ regret.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities.Dimensional collapse ––– also known as the "underfilling" phenomenon ––– is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

Diffusion-based generative models have significantly advanced text-to-image generation but encounter challenges when processing lengthy and intricate text prompts describing complex scenes with multiple objects. While excelling in generating images from short, single-object descriptions, these models often struggle to faithfully capture all the nuanced details within longer and more elaborate textual inputs. In response, we present a novel approach leveraging Large Language Models (LLMs) to extract critical components from text prompts, including bounding box coordinates for foreground objects, detailed textual descriptions for individual objects, and a succinct background context. These components form the foundation of our layout-to-image generation model, which operates in two phases. The initial Global Scene Generation utilizes object layouts and background context to create an initial scene but often falls short in faithfully representing object characteristics as specified in the prompts. To address this limitation, we introduce an Iterative Refinement Scheme that iteratively evaluates and refines box-level content to align them with their textual descriptions, recomposing objects as needed to ensure consistency. Our evaluation on complex prompts featuring multiple objects demonstrates a substantial improvement in recall compared to baseline diffusion models. This is further validated by a user study, underscoring the efficacy of our approach in generating coherent and detailed scenes from intricate textual inputs. Our iterative framework offers a promising solution for enhancing text-to-image generation models' fidelity with lengthy, multifaceted descriptions, opening new possibilities for accurate and diverse image synthesis from textual inputs.

The behavior of neural networks still remains opaque, and a recently widely noted phenomenon is that networks often achieve similar performance when initialized with different random parameters. This phenomenon has attracted significant attention in measuring the similarity between features learned by distinct networks. However, feature similarity could be vague in describing the same feature since equivalent features hardly exist. In this paper, we expand the concept of equivalent feature and provide the definition of what we call functionally equivalent features. These features produce equivalent output under certain transformations. Using this definition, we aim to derive a more intrinsic metric for the so-called feature complexity regarding the redundancy of features learned by a neural network at each layer. We offer a formal interpretation of our approach through the lens of category theory, a well-developed area in mathematics. To quantify the feature complexity, we further propose an efficient algorithm named Iterative Feature Merging. Our experimental results validate our ideas and theories from various perspectives. We empirically demonstrate that the functionally equivalence widely exists among different features learned by the same neural network and we could reduce the number of parameters of the network without affecting the performance. We have also drawn several interesting empirical findings, including: 1) the larger the network, the more redundant features it learns; 2) in particular, we show how to prune the networks based on our finding using direct equivalent feature merging, without fine-tuning which is often needed in peer network pruning methods; 3) same structured networks with higher feature complexity achieve better performance; 4) through the layers of a neural network, the feature complexity first increase then decrease; 5) for the image classification task, a group of functionally equivalent features may correspond to a specific semantic meaning. Source code will be made publicly available.

Recent progress in text-to-3D generation has been achieved through the utilization of score distillation methods: they make use of the pre-trained text-to-image (T2I) diffusion models by distilling via the diffusion model training objective. However, such an approach inevitably results in the use of random timesteps at each update, which increases the variance of the gradient and ultimately prolongs the optimization process. In this paper, we propose to enhance the text-to-3D optimization by leveraging the T2I diffusion prior in the generative sampling process with a predetermined timestep schedule. To this end, we interpret text-to-3D optimization as a multi-view image-to-image translation problem, and propose a solution by approximating the probability flow. By leveraging the proposed novel optimization algorithm, we design DreamFlow, a practical three-stage coarse-to-fine text-to-3D optimization framework that enables fast generation of high-quality and high-resolution (i.e., 1024×1024) 3D contents. For example, we demonstrate that DreamFlow is 5 times faster than the existing state-of-the-art text-to-3D method, while producing more photorealistic 3D contents.

The aligned Large Language Models (LLMs) are powerful language understanding and decision-making tools that are created through extensive alignment with human feedback. However, these large models remain susceptible to jailbreak attacks, where adversaries manipulate prompts to elicit malicious outputs that should not be given by aligned LLMs. Investigating jailbreak prompts can lead us to delve into the limitations of LLMs and further guide us to secure them. Unfortunately, existing jailbreak techniques suffer from either (1) scalability issues, where attacks heavily rely on manual crafting of prompts, or (2) stealthiness problems, as attacks depend on token-based algorithms to generate prompts that are often semantically meaningless, making them susceptible to detection through basic perplexity testing. In light of these challenges, we intend to answer this question: Can we develop an approach that can automatically generate stealthy jailbreak prompts? In this paper, we introduce AutoDAN, a novel jailbreak attack against aligned LLMs. AutoDAN can automatically generate stealthy jailbreak prompts by the carefully designed hierarchical genetic algorithm. Extensive evaluations demonstrate that AutoDAN not only automates the process while preserving semantic meaningfulness, but also demonstrates superior attack strength in cross-model transferability, and cross-sample universality compared with the baseline. Moreover, we also compare AutoDAN with perplexity-based defense methods and show that AutoDAN can bypass them effectively.

With the emergence of neural audio codecs, which encode multiple streams of discrete tokens from audio, large language models have recently gained attention as a promising approach for zero-shot Text-to-Speech (TTS) synthesis. Despite the ongoing rush towards scaling paradigms, audio tokenization ironically amplifies the scalability challenge, stemming from its long sequence length and the complexity of modelling the multiple sequences. To mitigate these issues, we present CLaM-TTS that employs a probabilistic residual vector quantization to 1) achieve superior compression in the token length, and 2) allow a language model to generate multiple tokens at once, thereby eliminating the need for cascaded modeling to handle the number of token streams. Our experimental results demonstrate that CLaM-TTS is better than or comparable to state-of-the-art zero-shot TTS baselines regarding naturalness, intelligibility, speaker similarity, and inference speed. In addition, we examine the impact of the pretraining extent of the language models and their text tokenization strategies on performances.

Dyna-style model-based reinforcement learning contains two phases: model rollouts to generate sample for policy learning and real environment exploration using current policy for dynamics model learning. However, due to the complex real-world environment, it is inevitable to learn an imperfect dynamics model with model prediction error, which can further mislead policy learning and result in sub-optimal solutions. In this paper, we propose $\texttt{COPlanner}$, a planning-driven framework for model-based methods to address the inaccurately learned dynamics model problem with conservative model rollouts and optimistic environment exploration. $\texttt{COPlanner}$ leverages an uncertainty-aware policy-guided model predictive control (UP-MPC) component to plan for multi-step uncertainty estimation. This estimated uncertainty then serves as a penalty during model rollouts and as a bonus during real environment exploration respectively, to choose actions. Consequently, $\texttt{COPlanner}$ can avoid model uncertain regions through conservative model rollouts, thereby alleviating the influence of model error. Simultaneously, it explores high-reward model uncertain regions to reduce model error actively through optimistic real environment exploration. $\texttt{COPlanner}$ is a plug-and-play framework that can be applied to any dyna-style model-based methods. Experimental results on a series of proprioceptive and visual continuous control tasks demonstrate that both sample efficiency and asymptotic performance of strong model-based methods are significantly improved combined with $\texttt{COPlanner}$.

Large pretrained models, coupled with fine-tuning, are slowly becoming established as the dominant architecture in machine learning. Even though these models offer impressive performance, their practical application is often limited by the prohibitive amount of resources required for $\textit{every}$ inference. Early-exiting dynamic neural networks (EDNN) circumvent this issue by allowing a model to make some of its predictions from intermediate layers (i.e., early-exit). Training an EDNN architecture is challenging as it consists of two intertwined components: the gating mechanism (GM) that controls early-exiting decisions and the intermediate inference modules (IMs) that perform inference from intermediate representations. As a result, most existing approaches rely on thresholding confidence metrics for the gating mechanism and strive to improve the underlying backbone network and the inference modules. Although successful, this approach has two fundamental shortcomings: 1) the GMs and the IMs are decoupled during training, leading to a train-test mismatch; and 2) the thresholding gating mechanism introduces a positive bias into the predictive probabilities, making it difficult to readily extract uncertainty information. We propose a novel architecture that connects these two modules. This leads to significant performance improvements on classification datasets and enables better uncertainty characterization capabilities.

Discussion and debate among Large Language Models (LLMs) have gained considerable attention due to their potential to enhance the reasoning ability of LLMs. Although natural language is an obvious choice for communication due to LLM's language understanding capability, the token sampling step needed when generating natural language poses a potential risk of information loss, as it uses only one token to represent the model's belief across the entire vocabulary. In this paper, we introduce a communication regime named CIPHER (Communicative Inter-Model Protocol Through Embedding Representation) to address this issue. Specifically, we remove the token sampling step from LLMs and let them communicate their beliefs across the vocabulary through the expectation of the raw transformer output embeddings. Remarkably, by deviating from natural language, CIPHER offers an advantage of encoding a broader spectrum of information without any modification to the model weights, outperforming the state-of-the-art LLM debate methods using natural language by 1-3.5% across five reasoning tasks and multiple open-source LLMs of varying sizes. This showcases the superiority and robustness of embeddings as an alternative ``language" for communication among LLMs.

We employ random matrix theory to establish consistency of generalized cross validation (GCV) for estimating prediction risks of sketched ridge regression ensembles, enabling efficient and consistent tuning of regularization and sketching parameters. Our results hold for a broad class of asymptotically free sketches under very mild data assumptions. For squared prediction risk, we provide a decomposition into an unsketched equivalent implicit ridge bias and a sketching-based variance, and prove that the risk can be globally optimized by only tuning sketch size in infinite ensembles. For general subquadratic prediction risk functionals, we extend GCV to construct consistent risk estimators, and thereby obtain distributional convergence of the GCV-corrected predictions in Wasserstein-2 metric. This in particular allows construction of prediction intervals with asymptotically correct coverage conditional on the training data. We also propose an "ensemble trick" whereby the risk for unsketched ridge regression can be efficiently estimated via GCV using small sketched ridge ensembles. We empirically validate our theoretical results using both synthetic and real large-scale datasets with practical sketches including CountSketch and subsampled randomized discrete cosine transforms.

Real-life applications of deep neural networks are hindered by their unsteady predictions when faced with noisy inputs and adversarial attacks. The certified radius is in this context a crucial indicator of the robustness of models. However how to design an efficient classifier with a sufficient certified radius? Randomized smoothing provides a promising framework by relying on noise injection in inputs to obtain a smoothed and more robust classifier. In this paper, we first show that the variance introduced by randomized smoothing closely interacts with two other important properties of the classifier, i.e. its Lipschitz constant and margin. More precisely, our work emphasizes the dual impact of the Lipschitz constant of the base classifier, on both the smoothed classifier and the empirical variance. Moreover, to increase the certified robust radius, we introduce a different simplex projection technique for the base classifier to leverage the variance-margin trade-off thanks to Bernstein's concentration inequality, along with an enhanced Lipschitz bound. Experimental results show a significant improvement in certified accuracy compared to current state-of-the-art methods. Our novel certification procedure allows us to use pre-trained models that are used with randomized smoothing, effectively improving the current certification radius in a zero-shot manner.

Lattices are architected metamaterials whose properties strongly depend on their geometrical design.The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling.In this work we present a higher-order GNN model trained to predict the fourth-order stiffness tensor of periodic strut-based lattices.The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy.We compare the model to non-equivariant models based on a number of error metrics and demonstrate the benefits of the encoded equivariance and energy conservation in terms of predictive performance and reduced training requirements.

Research on conversation has put emphasis on the importance of a multi-level communication system, in which the interlocutors aim to establish and maintain common ground. In natural conversations, repair mechanisms such as clarification requests are frequently used to improve mutual understanding.Here we explore the effects of conversational repair on languages emerging in signaling games. We extend the basic Lewis signaling game setup with a feedback channel that allows for the transmission of messages backwards from the receiver to the sender. Further, we add noise to the communication channel so that repair mechanisms become necessary for optimal performance.We find that for models that were trained with a feedback channel the sender agents produce less compositional messages. However, they still achieve a substantially higher generalization performance, putting to question the role of compositionality for generalization.These findings generalize also to a more realistic case involving naturalistic images in a guessing game setup.More broadly, this study provides an important step towards the creation of signaling games that more closely resemble the conditions under which human languages emerged.

Combining offline and online reinforcement learning (RL) is crucial for efficient and safe learning. However, previous approaches treat offline and online learning as separate procedures, resulting in redundant designs and limited performance. We ask: Can we achieve straightforward yet effective offline and online learning without introducing extra conservatism or regularization? In this study, we propose Uni-O4, which utilizes an on-policy objective for both offline and online learning. Owning to the alignment of objectives in two phases, the RL agent can transfer between offline and online learning seamlessly. This property enhances the flexibility of the learning paradigm, allowing for arbitrary combinations of pretraining, fine-tuning, offline, and online learning. In the offline phase, specifically, Uni-O4 leverages diverse ensemble policies to address the mismatch issues between the estimated behavior policy and the offline dataset. Through a simple offline policy evaluation (OPE) approach, Uni-O4 can achieve multi-step policy improvement safely. We demonstrate that by employing the method above, the fusion of these two paradigms can yield superior offline initialization as well as stable and rapid online fine-tuning capabilities. Through real-world robot tasks, we highlight the benefits of this paradigm for rapid deployment in challenging, previously unseen real-world environments. Additionally, through comprehensive evaluations using numerous simulated benchmarks, we substantiate that our method achieves state-of-the-art performance in both offline and offline-to-online fine-tuning learning. Our website

Large language models (LLMs) have demonstrated outstanding performance in various tasks, such as text summarization, text question-answering, and etc. While their performance is impressive, the computational footprint due to their vast number of parameters can be prohibitive. Existing solutions such as SparseGPT and Wanda attempt to alleviate this issue through weight pruning. However, their layer-wise approach results in significant perturbation to the model's output and requires meticulous hyperparameter tuning, such as the pruning rate, which can adversely affect overall model performance. To address this, this paper introduces a novel LLM pruning technique dubbed blockwise parameter-efficient sparsity allocation (BESA) by applying a blockwise reconstruction loss. In contrast to the typical layer-wise pruning techniques, BESA is characterized by two distinctive attributes: i) it targets the overall pruning error with respect to individual transformer blocks, and ii) it allocates layer-specific sparsity in a differentiable manner, both of which ensure reduced performance degradation after pruning. Our experiments show that BESA achieves state-of-the-art performance, efficiently pruning LLMs like LLaMA1, and LLaMA2 with 7B to 70B parameters on a single A100 GPU in just five hours. Code is available at here.

Generative flow networks (GFlowNets) are sequential sampling models trained to match a given distribution. GFlowNets have been successfully applied to various structured object generation tasks, sampling a diverse set of high-reward objects quickly. We propose expected flow networks (EFlowNets), which extend GFlowNets to stochastic environments. We show that EFlowNets outperform other GFlowNet formulations in stochastic tasks such as protein design. We then extend the concept of EFlowNets to adversarial environments, proposing adversarial flow networks (AFlowNets) for two-player zero-sum games. We show that AFlowNets learn to find above 80% of optimal moves in Connect-4 via self-play and outperform AlphaZero in tournaments.

Despite the recent advancements, conditional image generation still faces challenges of cost, generalizability, and the need for task-specific training. In this paper, we propose Manifold Preserving Guided Diffusion (MPGD), a training-free conditional generation framework that leverages pretrained diffusion models and off-the-shelf neural networks with minimal additional inference cost for a broad range of tasks. Specifically, we leverage the manifold hypothesis to refine the guided diffusion steps and introduce a shortcut algorithm in the process. We then propose two methods for on-manifold training-free guidance using pre-trained autoencoders and demonstrate that our shortcut inherently preserves the manifolds when applied to latent diffusion models. Our experiments show that MPGD is efficient and effective for solving a variety of conditional generation applications in low-compute settings, and can consistently offer up to 3.8× speed-ups with the same number of diffusion steps while maintaining high sample quality compared to the baselines.

Text-based dialogues are now widely used to solve real-world problems. In cases where solution strategies are already known, they can sometimes be codified into workflows and used to guide humans or artificial agents through the task of helping clients. We introduce a new problem formulation that we call Workflow Discovery (WD) in which we are interested in the situation where a formal workflow may not yet exist. Still, we wish to discover the set of actions that have been taken to resolve a particular problem. We also examine a sequence-to-sequence (Seq2Seq) approach for this novel task. We present experiments where we extract workflows from dialogues in the Action-Based Conversations Dataset (ABCD). Since the ABCD dialogues follow known workflows to guide agents, we can evaluate our ability to extract such workflows using ground truth sequences of actions. We propose and evaluate an approach that conditions models on the set of possible actions, and we show that using this strategy, we can improve WD performance. Our conditioning approach also improves zero-shot and few-shot WD performance when transferring learned models to unseen domains within and across datasets. Further, on ABCD a modified variant of our Seq2Seq method achieves state-of-the-art performance on related but different problems of Action State Tracking (AST) and Cascading Dialogue Success (CDS) across many evaluation metrics.

An emerging method to cheaply improve a weaker language model is to finetune it on outputs from a stronger model, such as a proprietary system like ChatGPT (e.g., Alpaca, Self-Instruct, and others). In this work, we critically analyze this approach of imitating language models.We first finetune a series of LMs that imitate ChatGPT using varying base model sizes (1.5B--13B), data sources, and imitation data amounts (0.3M--150M tokens). We then evaluate the models using crowd raters and canonical NLP benchmarks. Initially, we were surprised by the output quality of our imitation models---they appear far better at following instructions, and crowd workers rate their outputs as competitive with ChatGPT. However, when conducting more targeted automatic evaluations, we find that imitation models close little to none of the gap from the base LM to ChatGPT on tasks that are not heavily supported in the imitation data. We show that these performance discrepancies may slip past human raters because imitation models are adept at mimicking ChatGPT’s style but not its factuality. Overall, we conclude that model imitation is a false promise: there exists a substantial capabilities gap between open and closed LMs that, with current methods, can only be bridged using an unwieldy amount of imitation data or by using more capable base LMs.In turn, we argue that the highest leverage action for improving open-source models is to tackle the difficult challenge of developing better base LMs, rather than taking the shortcut of imitating proprietary systems.

We present EmerNeRF, a simple yet powerful approach for learning spatial-temporal representations of dynamic driving scenes. Grounded in neural fields, EmerNeRF simultaneously captures scene geometry, appearance, motion, and semantics via self-bootstrapping. EmerNeRF hinges upon two core components: First, it stratifies scenes into static and dynamic fields. This decomposition emerges purely from self-supervision, enabling our model to learn from general, in-the-wild data sources. Second, EmerNeRF parameterizes an induced flow field from the dynamic field and uses this flow field to further aggregate multi-frame features, amplifying the rendering precision of dynamic objects. Coupling these three fields (static, dynamic, and flow) enables EmerNeRF to represent highly-dynamic scenes self-sufficiently, without relying on ground truth object annotations or pre-trained models for dynamic object segmentation or optical flow estimation. Our method achieves state-of-the-art performance in sensor simulation, significantly outperforming previous methods when reconstructing static (+2.39 PSNR) and dynamic (+3.25 PSNR) scenes. In addition, to bolster EmerNeRF's semantic generalization, we lift 2D visual foundation model features into 4D space-time and address a general positional bias in modern Transformers, significantly boosting 3D perception performance (e.g., 78.5% relative improvement in occupancy prediction accuracy). Finally, we construct a diverse and challenging 120-sequence dataset to benchmark neural fields under extreme and highly-dynamic settings. Visualizations, code, and data will be anonymously available at https://anonymous.4open.science/r/EmerNeRF_review-003B/

Double descent presents a counter-intuitive aspect within the machine learning domain, and researchers have observed its manifestation in various models and tasks. While some theoretical explanations have been proposed for this phenomenon in specific contexts, an accepted theory to account for its occurrence in deep learning remains yet to be established. In this study, we revisit the phenomenon of double descent and demonstrate that its occurrence is strongly influenced by the presence of noisy data. Through conducting a comprehensive analysis of the feature space of learned representations, we unveil that double descent arises in imperfect models trained with noisy data. We argue that double descent is a consequence of the model first learning the noisy data until interpolation and then adding implicit regularization via over-parameterization acquiring therefore capability to separate the information from the noise. We postulate that double descent should never occur in well-regularized models.

Post-hoc out-of-distribution (OOD) detection has garnered intensive attention in reliable machine learning. Many efforts have been dedicated to deriving score functions based on logits, distances, or rigorous data distribution assumptions to identify low-scoring OOD samples. Nevertheless, these estimate scores may fail to accurately reflect the true data density or impose impractical constraints. To provide a unified perspective on density-based score design, we propose a novel theoretical framework grounded in Bregman divergence, which extends distribution considerations to encompass an exponential family of distributions. Leveraging the conjugation constraint revealed in our theorem, we introduce a \textsc{ConjNorm} method, reframing density function design as a search for the optimal norm coefficient $p$ against the given dataset. In light of the computational challenges of normalization, we devise an unbiased and analytically tractable estimator of the partition function using the Monte Carlo-based importance sampling technique. Extensive experiments across OOD detection benchmarks empirically demonstrate that our proposed \textsc{ConjNorm} has established a new state-of-the-art in a variety of OOD detection setups, outperforming the current best method by up to 13.25\% and 28.19\% (FPR95) on CIFAR-100 and ImageNet-1K, respectively.

Manifold-valued measurements exist in numerous applications within computer vision and machine learning. Recent studies have extended Deep Neural Networks (DNNs) to manifolds, and concomitantly, normalization techniques have also been adapted to several manifolds, referred to as Riemannian normalization. Nonetheless, most of the existing Riemannian normalization methods have been derived in an ad hoc manner and only apply to specific manifolds. This paper establishes a unified framework for Riemannian Batch Normalization (RBN) techniques on Lie groups. Our framework offers the theoretical guarantee of controlling both the Riemannian mean and variance. Empirically, we focus on Symmetric Positive Definite (SPD) manifolds, which possess three distinct types of Lie group structures. Using the deformation concept, we generalize the existing Lie groups on SPD manifolds into three families of parameterized Lie groups. Specific normalization layers induced by these Lie groups are then proposed for SPD neural networks. We demonstrate the effectiveness of our approach through three sets of experiments: radar recognition, human action recognition, and electroencephalography (EEG) classification. The code is available at https://github.com/GitZH-Chen/LieBN.git.

We propose a new bound for generalization of neural networks using Koopman operators. Whereas most of existing works focus on low-rank weight matrices, we focus on full-rank weight matrices. Our bound is tighter than existing norm-based bounds when the condition numbers of weight matrices are small. Especially, it is completely independent of the width of the network if the weight matrices are orthogonal. Our bound does not contradict to the existing bounds but is a complement to the existing bounds. As supported by several existing empirical results, low-rankness is not the only reason for generalization. Furthermore, our bound can be combined with the existing bounds to obtain a tighter bound. Our result sheds new light on understanding generalization of neural networks with full-rank weight matrices, and it provides a connection between operator-theoretic analysis and generalization of neural networks.

Accurate human trajectory prediction is crucial for applications such as autonomous vehicles, robotics, and surveillance systems. Yet, existing models often fail to fully leverage the non-verbal social cues human subconsciously communicate when navigating the space. To address this, we introduce \textit{Social-Transmotion}, a generic model that exploits the power of transformers to handle diverse and numerous visual cues, capturing the multi-modal nature of human behavior. We translate the idea of a prompt from Natural Language Processing (NLP) to the task of human trajectory prediction, where a prompt can be a sequence of x-y coordinates on the ground, bounding boxes or body poses. This, in turn, augments trajectory data, leading to enhanced human trajectory prediction.Our model exhibits flexibility and adaptability by capturing spatiotemporal interactions between pedestrians based on the available visual cues, whether they are poses, bounding boxes, or a combination thereof.By the masking technique, we ensure our model's effectiveness even when certain visual cues are unavailable, although performance is further boosted with the presence of comprehensive visual data.We delve into the merits of using 2d versus 3d poses, and a limited set of poses. Additionally, we investigate the spatial and temporal attention map to identify which keypoints and frames of poses are vital for optimizing human trajectory prediction.Our approach is validated on multiple datasets, including JTA, JRDB, Pedestrians and Cyclists in Road Traffic, and ETH-UCY.

We study the problem of learning hierarchical polynomials over the standard Gaussian distribution with three-layer neural networks. We specifically consider target functions of the form $h = g \circ p$ where $p : \mathbb{R}^d \rightarrow \mathbb{R}$ is a degree $k$ polynomial and $g: \mathbb{R} \rightarrow \mathbb{R}$ is a degree $q$ polynomial. This function class generalizes the single-index model, which corresponds to $k=1$, and is a natural class of functions possessing an underlying hierarchical structure. Our main result shows that for a large subclass of degree $k$ polynomials $p$, a three-layer neural network trained via layerwise gradient descent on the square loss learns the target $h$ up to vanishing test error in $\widetilde O(d^k)$ samples and polynomial time. This is a strict improvement over kernel methods, which require $\widetilde \Theta(d^{kq})$ samples, as well as existing guarantees for two-layer networks, which require the target function to be low-rank. Our result also generalizes prior works on three-layer neural networks, which were restricted to the case of $p$ being a quadratic. When $p$ is indeed a quadratic, we achieve the information-theoretically optimal sample complexity $\widetilde O(d^2)$, which is an improvement over prior work (Nichani et al., 2023) requiring a sample size of $\widetilde\Theta(d^4)$. Our proof proceeds by showing that during the first stage of training the network performs feature learning to recover the feature $p$ with $\widetilde O(d^k)$ samples. This work demonstrates the ability of three-layer neural networks to learn complex features and as a result learn a broad class of hierarchical functions.

Vision Transformer (ViT) has emerged as a powerful architecture in the realm of modern computer vision. However, its application in certain imaging fields, such as microscopy and satellite imaging, presents unique challenges. In these domains, images often contain multiple channels, each carrying semantically distinct and independent information. Furthermore, the model must demonstrate robustness to sparsity in input channels, as they may not be densely available during training or testing. In this paper, we propose a modification to the ViT architecture that enhances reasoning across the input channels and introduce Hierarchical Channel Sampling (HCS) as an additional regularization technique to ensure robustness when only partial channels are presented during test time. Our proposed model, ChannelViT, constructs patch tokens independently from each input channel and utilizes a learnable channel embedding that is added to the patch tokens, similar to positional embeddings. We evaluate the performance of ChannelViT on ImageNet, JUMP-CP (microscopy cell imaging), and So2Sat (satellite imaging). Our results show that ChannelViT outperforms ViT on classification tasks and generalizes well, even when a subset of input channels is used during testing. Across our experiments, HCS proves to be a powerful regularizer, independent of the architecture employed, suggesting itself as a straightforward technique for robust ViT training. Lastly, we find that ChannelViT generalizes effectively even when there is limited access to all channels during training, highlighting its potential for multi-channel imaging under real-world conditions with sparse sensors.

Advanced techniques using Neural Radiance Fields (NeRF), Signed Distance Fields (SDF), and Occupancy Fields have recently emerged as solutions for 3D indoor scene reconstruction. We introduce a novel two-phase learning approach, H2O-SDF, that discriminates between object and non-object regions within indoor environments. This method achieves a nuanced balance, carefully preserving the geometric integrity of room layouts while also capturing intricate surface details of specific objects. A cornerstone of our two-phase learning framework is the introduction of the Object Surface Field (OSF), a novel concept designed to mitigate the persistent vanishing gradient problem that has previously hindered the capture of high-frequency details in other methods. Our proposed approach is validated through several experiments that include ablation studies.

We consider the problem of linear estimation, and establish an extension of the Gauss-Markov theorem, in which the bias operator is allowed to be non-zero but bounded with respect to a matrix norm of Schatten type. We derive simple and explicit formulas for the optimal estimator in the cases of Nuclear and Spectral norms (with the Frobenius case recovering ridge regression). Additionally, we analytically derive the generalization error in multiple random matrix ensembles, and compare with Ridge regression. Finally, we conduct an extensive simulation study, in which we show that the cross-validated Nuclear and Spectral regressors can outperform Ridge in several circumstances.

We present DreamCraft3D, a hierarchical 3D content generation method that produces high-fidelity and coherent 3D objects. We tackle the problem by leveraging a 2D reference image to guide the stages of geometry sculpting and texture boosting. A central focus of this work is to address the consistency issue that existing works encounter. To sculpt geometries that render coherently, we perform score distillation sampling via a view-dependent diffusion model. This 3D prior, alongside several training strategies, prioritizes the geometry consistency but compromises the texture fidelity. We further propose bootstrapped score distillation to specifically boost the texture. We train a personalized diffusion model, Dreambooth, on the augmented renderings of the scene, imbuing it with 3D knowledge of the scene being optimized. The score distillation from this 3D-aware diffusion prior provides view-consistent guidance for the scene. Notably, through an alternating optimization of the diffusion prior and 3D scene representation, we achieve mutually reinforcing improvements: the optimized 3D scene aids in training the scene-specific diffusion model, which offers increasingly view-consistent guidance for 3D optimization. The optimization is thus bootstrapped and leads to substantial texture boosting. With tailored 3D priors throughout the hierarchical generation, DreamCraft3D generates coherent 3D objects with photorealistic renderings, advancing the state-of-the-art in 3D content generation.

Training deep networks requires various design decisions regarding for instance their architecture, data augmentation, or optimization. In this work, we find these training variations to result in networks learning unique feature sets from the data. Using public model libraries comprising thousands of models trained on canonical datasets like ImageNet, we observe that for arbitrary pairings of pretrained models, one model extracts significant data context unavailable in the other – independent of overall performance. Given any arbitrary pairing of pretrained models and no external rankings (such as separate test sets, e.g. due to data privacy), we investigate if it is possible to transfer such "complementary" knowledge from one model to another without performance degradation – a task made particularly difficult as additional knowledge can be contained in stronger, equiperformant or weaker models. Yet facilitating robust transfer in scenarios agnostic to pretrained model pairings would unlock auxiliary gains and knowledge fusion from any model repository without restrictions on model and problem specifics - including from weaker, lower-performance models. This work therefore provides an initial, in-depth exploration on the viability of such general-purpose knowledge transfer. Across large-scale experiments, we first reveal the shortcomings of standard knowledge distillation techniques, and then propose a much more general extension through data partitioning for successful transfer between nearly all pretrained models, which we show can also be done unsupervised. Finally, we assess both the scalability and impact of fundamental model properties on successful model-agnostic knowledge transfer.

Stability guarantees are crucial when ensuring a fully autonomous robot does not take undesirable or potentially harmful actions.Unfortunately, global stability guarantees are hard to provide in dynamical systems learned from data, especially when the learned dynamics are governed by neural networks. We propose a novel methodology to learn neural contractive dynamical systems, where our neural architecture ensures contraction, and hence, global stability. To efficiently scale the method to high-dimensional dynamical systems, we develop a variant of the variational autoencoder that learns dynamics in a low-dimensional latent representation space while retaining contractive stability after decoding. We further extend our approach to learning contractive systems on the Lie group of rotations to account for full-pose end-effector dynamic motions. The result is the first highly flexible learning architecture that provides contractive stability guarantees with capability to perform obstacle avoidance. Empirically, we demonstrate that our approach encodes the desired dynamics more accurately than the current state-of-the-art, which provides less strong stability guarantees.

In Causal Bayesian Optimization (CBO), an agent intervenes on an unknown structural causal model to maximize a downstream reward variable. In this paper, we consider the generalization where other agents or external events also intervene on the system, which is key for enabling adaptiveness to non-stationarities such as weather changes, market forces, or adversaries. We formalize this generalization of CBO as Adversarial Causal Bayesian Optimization (ACBO) and introduce the first algorithm for ACBO with bounded regret: Causal Bayesian Optimization with Multiplicative Weights (CBO-MW). Our approach combines a classical online learning strategy with causal modeling of the rewards. To achieve this, it computes optimistic counterfactual reward estimates by propagating uncertainty through the causal graph. We derive regret bounds for CBO-MW that naturally depend on graph-related quantities. We further propose a scalable implementation for the case of combinatorial interventions and submodular rewards. Empirically, CBO-MW outperforms non-causal and non-adversarial Bayesian optimization methods on synthetic environments and environments based on real-word data. Our experiments include a realistic demonstration of how CBO-MW can be used to learn users' demand patterns in a shared mobility system and reposition vehicles in strategic areas.

The growing interest in machine learning problems over graphs with additional node information such as texts, images, or labels has popularized methods that require the costly operation of processing the entire graph. Yet, little effort has been made to the development of fast local methods (i.e. without accessing the entire graph) that extract useful information from such data. To that end, we propose a study of local graph clustering using noisy node labels as a proxy for additional node information. In this setting, nodes receive initial binary labels based on cluster affiliation: 1 if they belong to the target cluster and 0 otherwise. Subsequently, a fraction of these labels is flipped. We investigate the benefits of incorporating noisy labels for local graph clustering. By constructing a weighted graph with such labels, we study the performance of graph diffusion-based local clustering method on both the original and the weighted graphs. From a theoretical perspective, we consider recovering an unknown target cluster with a single seed node in a random graph with independent noisy node labels. We provide sufficient conditions on the label noise under which, with high probability, using diffusion in the weighted graph yields a more accurate recovery of the target cluster. This approach proves more effective than using the given labels alone or using diffusion in the label-free original graph. Empirically, we show that reliable node labels can be obtained with just a few samples from an attributed graph. Moreover, utilizing these labels via diffusion in the weighted graph leads to significantly better local clustering performance across several real-world datasets, improving F1 scores by up to 13\%.

The rapid progress in open-source large language models (LLMs) is significantly advancing AI development. Extensive efforts have been made before model release to align their behavior with human values, with the primary goal of ensuring their helpfulness and harmlessness. However, even carefully aligned models can be manipulated maliciously, leading to unintended behaviors, known as "jailbreaks". These jailbreaks are typically triggered by specific text inputs, often referred to as adversarial prompts. In this work, we propose the \emph{generation exploitation} attack, an extremely simple approach that disrupts model alignment by only manipulating variations of decoding methods. By exploiting different generation strategies, including varying decoding hyper-parameters and sampling methods, we increase the misalignment rate from $0\\%$ to more than $95\\%$ across 11 language models including LLaMA2, Vicuna, Falcon, and MPT families, outperforming state-of-the-art attacks with $30\times$ lower computational cost. Finally, we propose an effective alignment method that explores diverse generation strategies, which can reasonably reduce the misalignment rate under our attack. Altogether, our study underscores a major failure in current safety evaluation and alignment procedures for open-source LLMs, strongly advocating for more comprehensive red teaming and better alignment before releasing such models.

Typical diffusion models are trained to accept a particular form of conditioning, most commonly text, and cannot be conditioned on other modalities without retraining. In this work, we propose a universal guidance algorithm that enables diffusion models to be controlled by arbitrary guidance modalities without the need to retrain any use-specific components. We show that our algorithm successfully generates quality images with guidance functions including segmentation, face recognition, object detection, style guidance and classifier signals.

Machine unlearning has emerged as a new paradigm to deliberately forget data samples from a given model in order to adhere to stringent regulations.However, existing machine unlearning methods have been primarily focused on classification models, leaving the landscape of unlearning for generative models relatively unexplored.This paper serves as a bridge, addressing the gap by providing a unifying framework of machine unlearning for image-to-image generative models.Within this framework, we propose a computationally-efficient algorithm, underpinned by rigorous theoretical analysis, that demonstrates negligible performance degradation on the retain samples, while effectively removing the information from the forget samples. Empirical studies on two large-scale datasets, ImageNet-1K and Places-365, further show that our algorithm does not rely on the availability of the retain samples, which further complies with data retention policy.To our best knowledge, this work is the first that represents systemic, theoretical, empirical explorations of machine unlearning specifically tailored for image-to-image generative models.

Human feedback has become the de facto standard for evaluating the performance of Large Language Models, and is increasingly being used as a training objective. However, it is not clear which properties of a generated output this single `preference' score captures. We hypothesise that preference scores are subjective and open to undesirable biases. We critically analyse the use of human feedback for both training and evaluation, to verify whether it fully captures a range of crucial error criteria. We find that while preference scores have fairly good coverage, they under-represent important aspects like factuality. We further hypothesise that both preference scores and error annotation may be affected by confounders, and leverage instruction-tuned models to generate outputs that vary along two possible confounding dimensions: assertiveness and complexity. We find that the assertiveness of an output skews the perceived rate of factuality errors, indicating that human annotations are not a fully reliable evaluation metric or training objective. Finally, we offer preliminary evidence that using human feedback as a training objective disproportionately increases the assertiveness of model outputs. We encourage future work to carefully consider whether preference scores are well aligned with the desired objective.

Deep neural network (DNN) models, despite their impressive performance, are vulnerable to exploitation by attackers who attempt to adapt them to other tasks for their own benefit. Current defense strategies mainly address this vulnerability at the model parameter level, leaving the potential of architectural-level defense largely unexplored. This paper, for the first time, addresses the issue of model protection by reducing transferability at the architecture level. Specially, we present a novel neural architecture search (NAS)-enabled algorithm that employs zero-cost proxies and evolutionary search, to design model architectures with low transferability. Our method, namely ArchLock, aims to achieve high performance on the source task, while degrading the performance on target tasks, i.e., locking the transferability of a DNN model.To achieve efficient cross-task search without having access to the training data owned by the attackers, we utilize zero-cost proxies to speed up architecture evaluation and simulate potential target task embeddings to assist cross-task search with a binary performance predictor. Extensive experiments on NAS-Bench-201 and TransNAS-Bench-101 demonstrate that ArchLock reduces transferability by up to 30\% and 50%, respectively, with negligible performance degradation on source tasks (<2%).

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across different nodes and its underlying reasons. To this end, we aim to demystify which nodes will perform better from the perspective of their local topology. Despite the widespread belief that low-degree nodes exhibit poorer LP performance, our empirical findings provide nuances to this viewpoint and prompt us to propose a better metric, Topological Concentration (TC), based on the intersection of the local subgraph of each node with the ones of its neighbors. We empirically demonstrate that TC has a higher correlation with LP performance than other node-level topological metrics like degree and subgraph density, offering a better way to identify low-performing nodes than using cold-start. With TC, we discover a novel topological distribution shift issue in which newly joined neighbors of a node tend to become less interactive with that node's existing neighbors, compromising the generalizability of node embeddings for LP at testing time. To make the computation of TC scalable, We further propose Approximated Topological Concentration (ATC) and theoretically/empirically justify its efficacy in approximating TC and reducing the computation complexity. Given the positive correlation between node TC and its LP performance, we explore the potential of boosting LP performance via enhancing TC by re-weighting edges in the message-passing and discuss its effectiveness with limitations. Our code is publicly available at https://github.com/submission2024/Topo_Concentration

Deep neural networks have been widely used in many critical applications, such as autonomous vehicles and medical diagnosis. However, their security is threatened by backdoor attack, which is achieved by adding artificial patterns to specific training data. Existing defense strategies primarily focus on using reverse engineering to reproduce the backdoor trigger generated by attackers and subsequently repair the DNN model by adding the trigger into inputs and fine-tuning the model with ground-truth labels. However, once the trigger generated by the attackers is complex and invisible, the defender can not successfully reproduce the trigger. Consequently, the DNN model will not be repaired since the trigger is not effectively removed.In this work, we propose Adversarial Feature Map Pruning for Backdoor (FMP) to mitigate backdoor from the DNN. Different from existing defense strategies, which focus on reproducing backdoor triggers, FMP tries to prune the backdoor feature maps, which are trained to extract backdoor information from the inputs. After pruning these backdoor feature maps, FMP will fine-tune the model with a secure subset of training data. Our experiments demonstrate that, compared to existing defense strategies, FMP can effectively reduce the Attack Success Rate (ASR) even against the most complex and invisible attack triggers (e.g., FMP decreases the ASR to 2.86\% in CIFAR10, 19.2\%-65.41\% lower than previous arts). Second, unlike conventional defense methods that tend to exhibit low Robust Accuracy (i.e., the model's accuracy on the poisoned data), FMP achieves higher RA, indicating its superiority in maintaining model performance while mitigating the effects of backdoor attacks (e.g., FMP obtains 87.40\% RA in CIFAR10). Third, compared to existing feature map pruning techniques, FMP can cover more backdoor feature maps (e.g., FMP removes 83.33\% of backdoor feature maps from the model in the CIFAR10 \& BadNet scenario).

Pre-training large models on vast amounts of web data has proven to be an effective approach for obtaining powerful, general models in several domains, including language and vision. However, this paradigm has not yet taken hold in deep reinforcement learning (RL). This gap is due to the fact that the most abundant form of embodied behavioral data on the web consists of videos, which do not include the action labels required by existing methods for training policies from offline data. We introduce Latent Action Policies from Observation (LAPO), a method to infer latent actions and, consequently, latent-action policies purely from action-free demonstrations. Our experiments on challenging procedurally-generated environments show that LAPO can act as an effective pre-training method to obtain RL policies that can then be rapidly fine-tuned to expert-level performance. Our approach serves as a key stepping stone to enabling the pre-training of powerful, generalist RL models on the vast amounts of action-free demonstrations readily available on the web.

Consider a $K$-vertex simplex in a $d$-dimensional space. We measure $n$ points on the simplex, but due to the measurement noise, some of the observed points fall outside the simplex. The interest is vertex hunting (i.e., estimating the vertices of the simplex). The successive projection algorithm (SPA) is one of the most popular approaches to vertex hunting, but it is vulnerable to noise and outliers, and may perform unsatisfactorily. We propose pseudo-point SPA (pp-SPA) as a new approach to vertex hunting. The approach contains two novel ideas (a projection step and a denoise step) and generates roughly $n$ pseudo-points, which can be fed in to SPA for vertex hunting. For theory, we first derive an improved non-asymptotic bound for the orthodox SPA, and then use the result to derive the bounds for pp-SPA. Compared with the orthodox SPA, pp-SPA has a faster rate and more satisfactory numerical performance in a broad setting. The analysis is quite delicate: the non-asymptotic bound is hard to derive, and we need precise results on the extreme values of (possibly) high-dimensional random vectors.

We study a family of distributed stochastic optimization algorithms where gradients are sampled by a token traversing a network of agents in random-walk fashion. Typically, these random-walks are chosen to be Markov chains that asymptotically sample from a desired target distribution, and play a critical role in the convergence of the optimization iterates. In this paper, we take a novel approach by replacing the standard *linear* Markovian token by one which follows a *non-linear* Markov chain - namely the Self-Repellent Radom Walk (SRRW). Defined for any given 'base' Markov chain, the SRRW, parameterized by a positive scalar $\\alpha$, is less likely to transition to states that were highly visited in the past, thus the name. In the context of MCMC sampling on a graph, a recent breakthrough in Doshi et al. (2023) shows that the SRRW achieves $O(1/\\alpha)$ decrease in the asymptotic variance for sampling. We propose the use of a `generalized' version of the SRRW to drive token algorithms for distributed stochastic optimization in the form of stochastic approximation, termed SA-SRRW. We prove that the optimization iterate errors of the resulting SA-SRRW converge to zero almost surely and prove a central limit theorem, deriving the explicit form of the resulting asymptotic covariance matrix corresponding to iterate errors. This asymptotic covariance is always smaller than that of an algorithm driven by the base Markov chain and decreases at rate $O(1/\\alpha^2)$ - the performance benefit of using SRRW thereby *amplified* in the stochastic optimization context. Empirical results support our theoretical findings.

Most recent work in goal oriented visual navigation resorts to large-scale machine learning in simulated environments. The main challenge lies in learning compact representations generalizable to unseen environments and in learning high-capacity perception modules capable of reasoning on high-dimensional input. The latter is particularly difficult when the goal is not given as a category ("ObjectNav") but as an exemplar image ("ImageNav"), as the perception module needs to learn a comparison strategy requiring to solve an underlying visual correspondence problem. This has been shown to be difficult from reward alone or with standard auxiliary tasks. We address this problem through a sequence of two pretext tasks, which serve as a prior for what we argue is one of the main bottleneck in perception, extremely wide-baseline relative pose estimation and visibility prediction in complex scenes. The first pretext task, cross-view completion is a proxy for the underlying visual correspondence problem, while the second task addresses goal detection and finding directly. We propose a new dual encoder with a large-capacity binocular ViT model and show that correspondence solutions naturally emerge from the training signals. Experiments show significant improvements and SOTA performance on the two benchmarks, ImageNav and the Instance-ImageNav variant, where camera intrinsics and height differ between observation and goal.

Due to its empirical success in few-shot classification and reinforcement learning, meta-learning has recently received significant interest. Meta-learning methods leverage data from previous tasks to learn a new task in a sample-efficient manner. In particular, model-agnostic methods look for initialisation points from which gradient descent quickly adapts to any new task. Although it has been empirically suggested that such methods perform well by learning shared representations during pretraining, there is limited theoretical evidence of such behavior. More importantly, it has not been rigorously shown that these methods still learn a shared structure, despite architectural misspecifications. In this direction, this work shows, in the limit of an infinite number of tasks, that first-order ANIL with a linear two-layer network architecture successfully learns linear shared representations. This result even holds with overparametrisation; having a width larger than the dimension of the shared representations results in an asymptotically low-rank solution. The learnt solution then yields a good adaptation performance on any new task after a single gradient step. Overall, this illustrates how well model-agnostic methods such as first-order ANIL can learn shared representations.

General non-convex problems often present multiple optimal solutions for identical inputs, signifying a complex, multi-valued input-solution mapping. Conventional learning techniques, primarily tailored to learn single-valued mappings, struggle to train neural networks (NN) to accurately decipher multi-valued ones, leading to inferior solutions. We address this fundamental issue by developing a generative learning approach using a rectified flow (RectFlow) model built upon ordinary differential equations. In contrast to learning input-solution mapping, we learn the mapping from input to solution-distribution, exploiting the universal approximation capability of the RectFlow model. Upon receiving a new input, we employ the trained RectFlow model to sample high-quality solutions from the input-dependent distribution it has learned. Our approach outperforms conceivable GAN and Diffusion models in terms of training stability and run-time complexity. We provide a detailed characterization of the optimality loss and runtime complexity associated with our generative approach. Simulation results for solving non-convex problems show that our method achieves significantly better solution optimality than recent NN schemes, with comparable feasibility and speedup performance.

Post hoc privacy auditing techniques can be used to test the privacy guarantees of a model, but come with several limitations: (i) they can only establish lower bounds on the privacy loss, (ii) the intermediate model updates and some data must be shared with the auditor to get a better approximation of the privacy loss, and (iii) the auditor typically faces a steep computational cost to run a large number of attacks. In this paper, we propose to proactively generate a cryptographic certificate of privacy during training to forego such auditing limitations. We introduce Confidential-DPproof , a framework for Confidential Proof of Differentially Private Training, which enhances training with a certificate of the $(\varepsilon,\delta)$-DP guarantee achieved. To obtain this certificate without revealing information about the training data or model, we design a customized zero-knowledge proof protocol tailored to the requirements introduced by differentially private training, including random noise addition and privacy amplification by subsampling. In experiments on CIFAR-10, Confidential-DPproof trains a model achieving state-of-the-art $91$% test accuracy with a certified privacy guarantee of $(\varepsilon=0.55,\delta=10^{-5})$-DP in approximately 100 hours.

Text-to-Image Diffusion Models such as Stable-Diffusion and Imagen have achieved unprecedented quality of photorealism with state-of-the-art FID scores on MS-COCO and other generation benchmarks. Given a caption, image generation requires fine-grained knowledge about attributes such as object structure, style, and viewpoint amongst others. Where does this information reside in text-to-image generative models? In our paper, we tackle this question and understand how knowledge corresponding to distinct visual attributes is stored in large-scale text-to-image diffusion models. We adapt Causal Mediation Analysis for text-to-image models and trace knowledge about distinct visual attributes to various (causal) components in the (i) UNet and (ii) text-encoder of the diffusion model. In particular, we show that unlike large-language models, knowledge about different attributes is not localized in isolated components, but is instead distributed amongst a set of components in the conditional UNet. These sets of components are often distinct for different visual attributes (e.g., style} / objects). Remarkably, we find that the text-encoder in public text-to-image models such as Stable-Diffusion contains {\it only} one causal state across different visual attributes, and this is the first self-attention layer corresponding to the last subject token of the attribute in the caption. This is in stark contrast to the causal states in other language models which are often the mid-MLP layers. Based on this observation of only one causal state in the text-encoder, we introduce a fast, data-free model editing method DiffQuickFix which can effectively edit concepts (remove or update knowledge) in text-to-image models. DiffQuickFix can edit (ablate) concepts in under a second with a closed-form update, providing a significant 1000x speedup and comparable editing performance to existing fine-tuning based editing methods.

This work summarizes two ways to accomplish Time-Series (TS) tasks in today's Large Language Model (LLM) context: LLM-for-TS (model-centric) designs and trains a fundamental large model, or fine-tunes a pre-trained LLM for TS data; TS-for-LLM (data-centric) converts TS into a model-friendly representation to enable the pre-trained LLM to handle TS data. Given the lack of data, limited resources, semantic context requirements, and so on, this work focuses on TS-for-LLM, where we aim to activate LLM's ability for TS data by designing a TS embedding method suitable for LLM. The proposed method is named TEST. It first tokenizes TS, builds an encoder to embed TS via instance-wise, feature-wise, and text-prototype-aligned contrast, where the TS embedding space is aligned to LLM’s embedding layer space, then creates soft prompts to make LLM more open to that embeddings, and finally implements TS tasks using the frozen LLM. We also demonstrate the feasibility of TS-for-LLM through theory and experiments. Experiments are carried out on TS classification, forecasting, and representation tasks using eight frozen LLMs with various structures and sizes. The results show that the pre-trained LLM with TEST strategy can achieve better or comparable performance than today's SOTA TS models, and offers benefits for few-shot and generalization. By treating LLM as the pattern machine, TEST can endow LLM's ability to process TS data without compromising language ability. We hope that this study will serve as a foundation for future work to support TS+LLM progress.

Given the massive cost of language model pre-training, a non-trivial improvement of the optimization algorithm would lead to a material reduction on the time and cost of training. Adam and its variants have been state-of-the-art for years, and more sophisticated second-order (Hessian-based) optimizers often incur too much per-step overhead. In this paper, we propose Sophia, a simple scalable second-order optimizer that uses a light-weight estimate of the diagonal Hessian as the pre-conditioner. The update is the moving average of the gradients divided by the moving average of the estimated Hessian, followed by element-wise clipping. The clipping controls the worst-case update size and tames the negative impact of non-convexity and rapid change of Hessian along the trajectory. Sophia only estimates the diagonal Hessian every handful of iterations, which has negligible average per-step time and memory overhead. On language modeling with GPT models of sizes ranging from 125M to 1.5B, Sophia achieves a 2x speed-up compared to Adam in the number of steps, total compute, and wall-clock time, achieving the same perplexity with 50\% fewer steps, less total compute, and reduced wall-clock time.

We investigate composed image retrieval with text feedback. Users gradually look for the target of interest by moving from coarse to fine-grained feedback. However, existing methods merely focus on the latter, i.e., fine-grained search, by harnessing positive and negative pairs during training. This pair-based paradigm only considers the one-to-one distance between a pair of specific points, which is not aligned with the one-to-many coarse-grained retrieval process and compromises the recall rate. In an attempt to fill this gap, we introduce a unified learning approach to simultaneously modeling the coarse- and fine-grained retrieval by considering the multi-grained uncertainty. The key idea underpinning the proposed method is to integrate fine- and coarse-grained retrieval as matching data points with small and large fluctuations, respectively.Specifically, our method contains two modules: uncertainty modeling and uncertainty regularization. (1) The uncertainty modeling simulates the multi-grained queries by introducing identically distributed fluctuations in the feature space. (2) Based on the uncertainty modeling, we further introduce uncertainty regularization to adapt the matching objective according to the fluctuation range.Compared with existing methods, the proposed strategy explicitly prevents the model from pushing away potential candidates in the early stage and thus improves the recall rate. On the three public datasets, i.e., FashionIQ, Fashion200k, and Shoes, the proposed method has achieved +4.03%, + 3.38%, and + 2.40% Recall@50 accuracy over a strong baseline, respectively.

The recent boom of linear forecasting models questions the ongoing passions in architectural modifications of Transformer-based forecasters. These forecasters leverage Transformers to model the global dependencies over temporal tokens of time series, with each token formed by multiple variates of the same timestamp. However, Transformer is challenged in forecasting series with larger lookback windows due to performance degradation and computation explosion. Besides, the unified embedding for each temporal token fuses multiple variates with potentially unaligned timestamps and distinct physical measurements, which may fail in learning variate-centric representations and result in meaningless attention maps. In this work, we reflect on the competent duties of Transformer components and repurpose the Transformer architecture without any adaptation on the basic components. We propose iTransformer that simply inverts the duties of the attention mechanism and the feed-forward network. Specifically, the time points of individual series are embedded into variate tokens which are utilized by the attention mechanism to capture multivariate correlations; meanwhile, the feed-forward network is applied for each variate token to learn nonlinear representations.The iTransformer model achieves consistent state-of-the-art on several real-world datasets, which further empowers the Transformer family with promoted performance, generalization ability across different variates, and better utilization of arbitrary lookback windows, making it a nice alternative as the fundamental backbone of time series forecasting.

A common assumption of many anomaly detection methods is that a reasonable decision boundary has a hypersphere shape, which is difficult to obtain in practice and is not sufficiently compact, especially when the data are in high-dimensional spaces. In this paper, we first propose a novel deep anomaly detection model that improves the original hypersphere learning through an orthogonal projection layer, which ensures that the training data distribution is consistent with the hypersphere hypothesis, thereby increasing the true positive rate and decreasing the false negative rate. Moreover, we propose a bi-hypersphere compression method to obtain a hyperspherical shell that yields a more compact decision region than a hyperball, which is demonstrated theoretically and numerically. Note that the proposed methods are not confined to common datasets, such as image and tabular data, but are also extended to a more challenging but promising scenario, graph-level anomaly detection, which learns graph representation with maximum mutual information between the substructure and global structure features while exploring orthogonal single- or bi-hypersphere anomaly decision boundaries. The numerical and visualization results on benchmark datasets demonstrate the effectiveness and superiority of our methods in comparison with many baselines and the state-of-the-arts.

Preventing the performance decay of Transformers on inputs longer than those used for training has been an important challenge in extending the context length of these models. Though the Transformer architecture has fundamentally no limits on the input sequence lengths it can process, the choice of position encoding used during training can limit the performance of these models on longer inputs. We propose a novel functional relative position encoding with progressive interpolation, FIRE, to improve Transformer generalization to longer contexts. We theoretically prove that this can represent some of the popular relative position encodings, such as T5's RPE, Alibi, and Kerple. We next empirically show that FIRE models have better generalization to longer contexts on both zero-shot language modeling and long text benchmarks.

Recently there has been a significant surge in multimodal learning in terms of both image-to-text and text-to-image generation. However, the success is typically limited to English, leaving other languages largely behind. Building a competitive counterpart in other languages is highly challenging due to the low-resource nature of non-English multimodal data (i.e., lack of large-scale, high-quality image-text data). In this work, we propose \trainname, an effective training paradigm for training large multimodal models in low-resource languages. \trainname demonstrates that \textbf{M}ultilingual language models can \textbf{P}ivot zero-shot \textbf{M}ultimodal learning across languages. Specifically, based on a strong multilingual large language model, multimodal models pretrained on English-only image-text data can well generalize to other languages in a zero-shot manner, even surpassing models trained on image-text data in native languages. Taking Chinese as a practice of \trainname, we build large multimodal models \modelname in image-to-text and text-to-image generation, which achieve state-of-the-art (open-source) performance in Chinese. To facilitate future research, we open-source codes and model weights at https://anonymous.4open.science/r/VisCPM-8E13.

Privacy amplification exploits randomness in data selection to provide tighter differential privacy (DP) guarantees. This analysis is key to DP-SGD's success in machine learning (ML), but, is not readily applicable to the newer state-of-the-art (SOTA) algorithms. This is because these algorithms, known as DP-FTRL, use the matrix mechanism to add correlated noise instead of independent noise as in DP-SGD.In this paper, we propose "MMCC'' (matrix mechanism conditional composition), the first algorithm to analyze privacy amplification via sampling for any generic matrix mechanism. MMCC is nearly tight in that it approaches a lower bound as $\epsilon\to0$. To analyze correlated outputs in MMCC, we prove that they can be analyzed as if they were independent, by conditioning them on prior outputs. Our "conditional composition theorem'' has broad utility: we use it to show that the noise added to binary-tree-DP-FTRL can asymptotically match the noise added to DP-SGD with amplification. Our algorithm also has practical empirical utility. We show that amplification leads to significant improvement in the privacy/utility trade-offs for DP-FTRL style algorithms for standard benchmark tasks.

Large-scale contrastive vision-language pre-trained models provide the zero-shot model achieving competitive performance across a range of image classification tasks without requiring training on downstream data. Recent works have confirmed that while additional fine-tuning of the zero-shot model on the reference data results in enhanced downstream performance, it compromises the model's robustness against distribution shifts. Our investigation begins by examining the conditions required to achieve the goals of robust fine-tuning, employing descriptions based on feature distortion theory and joint energy-based models. Subsequently, we propose a novel robust fine-tuning algorithm, Lipsum-FT, that effectively utilizes the language modeling aspect of the vision-language pre-trained models. Extensive experiments conducted on distribution shift scenarios in DomainNet and ImageNet confirm the superiority of our proposed Lipsum-FT approach over existing robust fine-tuning methods.

Large language models (LLMs) have achieved remarkable performance in various evaluation benchmarks. However, concerns about their performance are raised on potential data contamination in their considerable volume of training corpus. Moreover, the static nature and fixed complexity of current benchmarks may inadequately gauge the advancing capabilities of LLMs. In this paper, we introduce DyVal, a novel, general, and flexible evaluation protocol for dynamic evaluation of LLMs. Based on our proposed dynamic evaluation framework, we build graph-informed DyVal by leveraging the structural advantage of directed acyclic graphs to dynamically generate evaluation samples with controllable complexities. DyVal generates challenging evaluation sets on reasoning tasks including mathematics, logical reasoning, and algorithm problems. We evaluate various LLMs ranging from Flan-T5-large to ChatGPT and GPT4. Experiments demonstrate that LLMs perform worse in DyVal-generated evaluation samples with different complexities, emphasizing the significance of dynamic evaluation. We also analyze the failure cases and results of different prompting methods. Moreover, DyVal-generated samples are not only evaluation sets, but also helpful data for fine-tuning to improve the performance of LLMs on existing benchmarks. We hope that DyVal can shed light on the future evaluation research of LLMs.

Evaluation of Large Language Models (LLMs) is challenging because instruction-following necessitates alignment with human values and the required set of skills varies depending on the instruction. However, previous studies have mainly focused on coarse-grained evaluation (i.e. overall preference-based evaluation), which limits interpretability since it does not consider the nature of user instructions that require instance-wise skill composition. In this paper, we introduce FLASK (Fine-grained Language Model Evaluation based on Alignment Skill Sets), a fine-grained evaluation protocol for both human-based and model-based evaluation which decomposes coarse-level scoring to a skill set-level scoring for each instruction. We experimentally observe that the fine-graininess of evaluation is crucial for attaining a holistic view of model performance and increasing the reliability of the evaluation. Using FLASK, we compare multiple open-source and proprietary LLMs and observe a high correlation between model-based and human-based evaluations.

In recent research, Tensor Product Representation (TPR) is applied for the systematic generalization task of deep neural networks by learning the compositional structure of data. However, such prior works show limited performance in discovering and representing the symbolic structure from unseen test data because of the incomplete bindings to the structural representations. In this work, we propose an Attention-based Iterative Decomposition (AID) module that can effectively improve the binding for the structured representations encoded from the sequential input features with TPR. Our AID can be easily adapted to any TPR-based model and provides enhanced systematic decomposition through a competitive attention mechanism between input features and structured representations. In our experiments, AID shows effectiveness by significantly improving the performance of TPR-based prior works on the series of systematic generalization tasks. Moreover, in the quantitative and qualitative evaluations, AID produces more compositional and well-bound structural representations than other works.

The bandits with knapsacks (BwK) framework models online decision-making problems in which an agent makes a sequence of decisions subject to resource consumption constraints. The traditional model assumes that each action consumes a non-negative amount of resources and the process ends when the initial budgets are fully depleted. We study a natural generalization of the BwK framework which allows non-monotonic resource utilization, i.e., resources can be replenished by a positive amount. We propose a best-of-both-worlds primal-dual template that can handle any online learning problem with replenishment for which a suitable primal regret minimizer exists. In particular, we provide the first positive results for the case of adversarial inputs by showing that our framework guarantees a constant competitive ratio $\alpha$ when $B=\Omega(T)$ or when the possible per-round replenishment is a positive constant. Moreover, under a stochastic input model, our algorithm yields an instance-independent $\tilde{\mathcal{O}}(T^{1/2})$ regret bound which complements existing instance-dependent bounds for the same setting. Finally, we provide applications of our framework to some economic problems of practical relevance.

A key challenge of modern machine learning systems is to achieve Out-of-Distribution (OOD) generalization --- generalizing to target data whose distribution differs from those of source data. Despite its significant importance, the fundamental question of ``what are the most effective algorithms for OOD generalization'' remains open even under the standard setting of covariate shift.This paper addresses this fundamental question by proving that, surprisingly, classical Maximum Likelihood Estimation (MLE) purely using source data (without any modification) achieves the minimax optimality for covariate shift under the well-specified setting. This result holds for a very large class of parametric models, including but not limited to linear regression, logistic regression, and phase retrieval, and does not require any boundedness condition on the density ratio. This paper further complement the study by proving that for the misspecified setting, MLE can perform poorly, and the Maximum Weighted Likelihood Estimator (MWLE) emerges as minimax optimal in specific scenarios, outperforming MLE.

Large web-crawled multimodal datasets have powered a slew of new methods for learning general-purpose visual representations, advancing the state of the art in computer vision and revolutionizing zero- and few-shot recognition. One crucial decision facing practitioners is how, if at all, to curate these ever-larger datasets. For example, the creators of the LAION-5B dataset chose to retain only image-caption pairs whose CLIP similarity score exceeded a designated threshold. In this paper, we propose a new state-of-the-art data filtering approach motivated by our observation that nearly $40\%$ of LAION's images contain text that overlaps significantly with the caption. Intuitively, such data could be wasteful as it incentivizes models to perform optical character recognition rather than learning visual features. However, naively removing all such data could also be wasteful, as it throws away images that contain visual features (in addition to overlapping text). Our simple and scalable approach, T-MARS (Text Masking and Re-Scoring), filters out only those pairs where the text dominates the remaining visual features---by first masking out the text and then filtering out those with a low CLIP similarity score of the masked image with original captions. Experimentally, T-MARS is the top ranked approach on Imagenet at ``medium scale'' of DataComp (a data filtering benchmark), and outperforms CLIP filtering by a margin of $6.5\%$ on ImageNet and $4.7\%$ on VTAB. Additionally, we show that the accuracy gains enjoyed by T-MARS linearly increase as data and compute are scaled exponentially.

Manipulating objects is a hallmark of human intelligence, and an important task in domains such as robotics. In principle, Reinforcement Learning (RL) offers a general approach to learn object manipulation. In practice, however, domains with more than a few objects are difficult for RL agents due to the curse of dimensionality, especially when learning from raw image observations. In this work we propose a structured approach for visual RL that is suitable for representing multiple objects and their interaction, and use it to learn goal-conditioned manipulation of several objects. Key to our method is the ability to handle goals with dependencies between the objects (e.g., moving objects in a certain order). We further relate our architecture to the generalization capability of the trained agent, and demonstrate agents that learn with 3 objects but generalize to similar tasks with over 10 objects. Rollout videos are available on our website: https://sites.google.com/view/entity-centric-rl

Generating 3D graphs of \textit{symmetry-group equivariance} is of intriguing potential in broad applications from machine vision to molecular discovery.Emerging approaches adopt diffusion generative models (DGMs) with proper re-engineering to capture 3D graph distributions.In this paper, we raise an orthogonal and fundamental question of \textit{in what (latent) space we should diffuse 3D graphs}.\ding{182} We motivate the study with theoretical analysis showing that the performance bound of 3D graph diffusion could be improved in a latent space versus the original space, provided that there are (i) low dimensionality yet (ii) high quality (i.e., low reconstruction error) of the latent space, and (iii) symmetry preservation as an inductive bias of latent DGMs.\ding{183} Guided by the theoretical guidelines, we propose to perform 3D graph diffusion in a low-dimensional latent space, which is learned through cascaded 2D--3D graph autoencoders for low-error reconstruction and symmetry-group invariance.The overall pipeline is dubbed \textbf{latent 3D graph diffusion}.\ding{184} Motivated by applications in molecular discovery, we further extend latent 3D graph diffusion to conditional generation given SE(3)-invariant attributes or equivariant 3D objects.\ding{185} We also demonstrate empirically that out-of-distribution conditional generation can be further improved by regularizing the latent space via graph self-supervised learning.We validate through comprehensive experiments that our method generates 3D molecules of higher validity / drug-likeliness and comparable conformations / energetics, while being an order of magnitude faster in training. Codes will be released upon acceptance.

We show how to obtain improved active learning methods in the agnostic (adversarial noise) setting by combining marginal leverage score sampling with non-independent sampling strategies that promote spatial coverage. In particular, we propose an easily implemented method based on the \emph{pivotal sampling algorithm}, which we test on problems motivated by learning-based methods for parametric PDEs and uncertainty quantification. In comparison to independent sampling, our method reduces the number of samples needed to reach a given target accuracy by up to $50\%$.We support our findings with two theoretical results. First, we show that any non-independent leverage score sampling method that obeys a weak \emph{one-sided $\ell_{\infty}$ independence condition} (which includes pivotal sampling) can actively learn $d$ dimensional linear functions with $O(d\log d)$ samples, matching independent sampling. This result extends recent work on matrix Chernoff bounds under $\ell_{\infty}$ independence, and may be of interest for analyzing other sampling strategies beyond pivotal sampling. Second, we show that, for the important case of polynomial regression, our pivotal method obtains an improved bound of $O(d)$ samples.

Recent progress in 3D scene understanding enables scalable learning of representations across large datasets of diverse scenes. As a consequence, generalization to unseen scenes and objects, rendering novel views from just a single or a handful of input images, and controllable scene generation that supports editing, is now possible. However, training jointly on a large number of scenes typically compromises rendering quality when compared to single-scene optimized models such as NeRFs. In this paper, we leverage recent progress in diffusion models to equip 3D scene representation learning models with the ability to render high-fidelity novel views, while retaining benefits such as object-level scene editing to a large degree. In particular, we propose DORSal, which adapts a video diffusion architecture for 3D scene generation conditioned on frozen object-centric slot-based representations of scenes. On both complex synthetic multi-object scenes and on the real-world large-scale Street View dataset, we show that DORSal enables scalable neural rendering of 3D scenes with object-level editing and improves upon existing approaches.

Diffusion models have achieved state-of-the-art results on many modalities including images, speech, and video. However, existing models are not tailored to support remote sensing data, which is widely used in important applications including environmental monitoring and crop-yield prediction. Satellite images are significantly different from natural images -- they can be multi-spectral, irregularly sampled across time -- and existing diffusion models trained on images from the Web do not support them. Furthermore, remote sensing data is inherently spatio-temporal, requiring conditional generation tasks not supported by traditional methods based on captions or images. In this paper, we present DiffusionSat, to date the largest generative foundation model trained on a collection of publicly available large, high-resolution remote sensing datasets .As text-based captions are sparsely available for satellite images, we incorporate the associated metadata such as geolocation as conditioning information. Our method produces realistic samples and can be used to solve multiple generative tasks including temporal generation, multi-spectral superrresolution and in-painting. Our method outperforms previous state-of-the-art methods for satellite image generation and is the first large-scale generative foundation model for satellite imagery.The project website can be found here: https://samar-khanna.github.io/DiffusionSat/

Fairness-aware graph neural networks (GNNs) have gained a surge of attention as they can reduce the bias of predictions on any demographic group (e.g., female) in graph-based applications. Although these methods greatly improve the algorithmic fairness of GNNs, the fairness can be easily corrupted by carefully designed adversarial attacks. In this paper, we investigate the problem of adversarial attacks on fairness of GNNs and propose G-FairAttack, a general framework for attacking various types of fairness-aware GNNs in terms of fairness with an unnoticeable effect on prediction utility. In addition, we propose a fast computation technique to reduce the time complexity of G-FairAttack. The experimental study demonstrates that G-FairAttack successfully corrupts the fairness of different types of GNNs while keeping the attack unnoticeable. Our study on fairness attacks sheds light on potential vulnerabilities in fairness-aware GNNs and guides further research on the robustness of GNNs in terms of fairness.

Self-supervised learning through contrastive representations is an emergent and promising avenue, aiming at alleviating the availability of labeled data. Recent research in the field also demonstrates its viability for several downstream tasks, henceforth leading to works that implement the contrastive principle through innovative loss functions and methods. However, despite achieving impressive progress, most methods depend on prohibitively large batch sizes and compute requirements for good performance. In this work, we propose the $\textbf{AUC}$-$\textbf{C}$ontrastive $\textbf{L}$earning, a new approach to contrastive learning that demonstrates robust and competitive performance in compute-limited regimes. We propose to incorporate the contrastive objective within the AUC-maximization framework, by noting that the AUC metric is maximized upon enhancing the probability of the network's binary prediction difference between positive and negative samples which inspires adequate embedding space arrangements in representation learning. Unlike standard contrastive methods, when performing stochastic optimization, our method maintains unbiased stochastic gradients and thus is more robust to batchsizes as opposed to standard stochastic optimization problems.Remarkably, our method with a batch size of 256, outperforms several state-of-the-art methods that may need much larger batch sizes (e.g., 4096), on ImageNet and other standard datasets. Experiments on transfer learning, few-shot learning, and other downstream tasks also demonstrate the viability of our method.

Most Neural Radiance Fields (NeRFs) exhibit limited generalization capabilities,which restrict their applicability in representing multiple scenes using a single model. To address this problem, existing generalizable NeRF methods simply condition the model on image features. These methods still struggle to learn precise global representations over diverse scenes since they lack an effective mechanism for interacting among different points and views. In this work, we unveil that3D implicit representation learning can be significantly improved by mask-based modeling. Specifically, we propose masked ray and view modeling for generalizable NeRF (MRVM-NeRF), which is a self-supervised pretraining target to predict complete scene representations from partially masked features along each ray. With this pretraining target, MRVM-NeRF enables better use of correlations across different rays and views as the geometry priors, which thereby strengthens the capability of capturing intricate details within the scenes and boosts the generalization capability across different scenes. Extensive experiments demonstrate the effectiveness of our proposed MRVM-NeRF on both synthetic and real-world datasets, qualitatively and quantitatively. Besides, we also conduct experiments to show the compatibility of our proposed method with various backbones and itssuperiority under few-shot cases.

We present a novel variational framework for performing inference in (neural) stochastic differential equations (SDEs) driven by Markov-approximate fractional Brownian motion (fBM). SDEs offer a versatile tool for modeling real-world continuous-time dynamic systems with inherent noise and randomness. Combining SDEs with the powerful inference capabilities of variational methods, enables the learning of representative function distributions through stochastic gradient descent. However, conventional SDEs typically assume the underlying noise to follow a Brownian motion (BM), which hinders their ability to capture long-term dependencies. In contrast, fractional Brownian motion (fBM) extends BM to encompass non-Markovian dynamics, but existing methods for inferring fBM parameters are either computationally demanding or statistically inefficient. In this paper, building upon the Markov approximation of fBM, we derive the evidence lower bound essential for efficient variational inference of posterior path measures, drawing from the well-established field of stochastic analysis. Additionally, we provide a closed-form expression to determine optimal approximation coefficients. Furthermore, we propose the use of neural networks to learn the drift, diffusion and control terms within our variational posterior, leading to the variational training of neural-SDEs. In this framework, we also optimize the Hurst index, governing the nature of our fractional noise. Beyond validation on synthetic data, we contribute a novel architecture for variational latent video prediction,—an approach that, to the best of our knowledge, enables the first variational neural-SDE application to video perception.

Given a prompt, language models produce a distribution over all possible next tokens; when the prompt is unknown, can we use this distributional information to recover the prompt? We consider the problem of anguage model inversion and show that next-token probabilities contain a surprising amount of information about the preceding text. Often we can recover the text in cases where it is hidden from the user, motivating a method for recovering unknown prompts given only the model's current distribution output. We consider a variety of model access scenarios, and show how even without predictions for every token in the vocabulary we can recover the probability vector through search and reconstruction of the input. On LLAMA-7B, our inversion method reconstructs prompts with a BLEU of $59$ and token-level F1 of $77$ and recovers $23\%$ of prompts exactly

Code Large Language Models (Code LLMs), such as StarCoder, have demonstrated remarkable performance in various code-related tasks. However, different from their counterparts in the general language modeling field, the technique of instruction fine-tuning remains relatively under-researched in this domain. In this paper, we present Code Evol-Instruct, a novel approach that adapts the Evol-Instruct method to the realm of code, enhancing Code LLMs to create novel models WizardCoder. Through comprehensive experiments on five prominent code generation benchmarks, namely HumanEval, HumanEval+, MBPP, DS-1000, and MultiPL-E, our models showcase outstanding performance. They consistently outperform all other open-source Code LLMs by a significant margin. Remarkably, WizardCoder 15B even surpasses the largest closed-source LLMs, including Anthropic’s Claude and Google’s Bard, on the HumanEval and HumanEval+ benchmarks. Additionally, WizardCoder 34B not only achieves a HumanEval score comparable to GPT3.5 (ChatGPT) but also surpasses it on the HumanEval+ benchmark. Furthermore, our preliminary exploration highlights the pivotal role of instruction complexity in achieving exceptional coding performance.

Large-scale Vision Transformers have achieved promising performance on downstream tasks through feature pre-training. However, the performance of vanilla lightweight Vision Transformers (ViTs) is still far from satisfactory compared to that of recent lightweight CNNs or hybrid networks. In this paper, we aim to unlock the potential of vanilla lightweight ViTs by exploring the adaptation of the widely-used re-parameterization technology to ViTs for improving learning ability during training without increasing the inference cost. The main challenge comes from the fact that CNNs perfectly complement with re-parameterization over convolution and batch normalization, while vanilla Transformer architectures are mainly comprised of linear and layer normalization layers. We propose to incorporate the nonlinear ensemble into linear layers by expanding the depth of the linear layers with batch normalization and fusing multiple linear features with hierarchical representation ability through a pyramid structure. We also discover and solve a new transformer-specific distribution rectification problem caused by multi-branch re-parameterization. Finally, we propose our Two-Dimensional Re-parameterized Linear module (TDRL) for ViTs. Under the popular self-supervised pre-training and supervised fine-tuning strategy, our TDRL can be used in these two stages to enhance both generic and task-specific representation. Experiments demonstrate that our proposed method not only boosts the performance of vanilla Vit-Tiny on various vision tasks to new state-of-the-art (SOTA) but also shows promising generality ability on other networks. Code will be available.

Crystals are the foundation of numerous scientific and industrial applications. While various learning-based approaches have been proposed for crystal generation, existing methods neglect the spacegroup constraint which is crucial in describing the geometry of crystals and closely relevant to many desirable properties. However, considering spacegroup constraint is challenging owing to its diverse and nontrivial forms. In this paper, we reduce the spacegroup constraint into an equivalent formulation that is more tractable to be handcrafted into the generation process. In particular, we translate the spacegroup constraint into two cases: the basis constraint of the invariant exponential space of the lattice matrix and the Wyckoff position constraint of the fractional coordinates. Upon the derived constraints, we then propose DiffCSP++, a novel diffusion model that has enhanced a previous work DiffCSP by further taking spacegroup constraint into account. Experiments on several popular datasets verify the benefit of the involvement of the spacegroup constraint, and show that our DiffCSP++ achieves the best or comparable performance on crystal structure prediction and ab initio crystal generation.

With the rapid growth of large language models (LLMs), there is increasing demand for memory and computation for LLMs. Recent efforts on post-training pruning of LLMs aim to reduce the model size and computation, yet the performance is still sub-optimal. In this paper, we present a plug-and-play solution for post-training pruning of LLMs.The proposed solution has two innovative components: 1) Relative Importance and Activations (RIA), a new pruning metric that jointly considers the weight and activations efficiently on LLMs; and 2) Channel Permutation, a new approach to maximally preserve important weights under N:M sparsity.The proposed two components can be readily combined to further enhance the N:M structuredly pruned LLMs.Our empirical experiments show that RIA alone can already surpass all existing post-training pruning methods on prevalent LLMs, e.g., LLaMA ranging from 7B to 65B. Furthermore, N:M structured pruning with channel permutation can even outperform the original LLaMA2 70B on zero-shot tasks, together with practical speed-up on specific hardware.

Diffusion-based generative methods have proven effective in modeling trajectories with offline datasets. However, they often face computational challenges and can falter in generalization, especially in capturing temporal abstractions for long-horizon tasks. To overcome this, we introduce the Hierarchical Diffuser, a simple, fast, yet effective planning method combining the advantages of hierarchical and diffusion-based planning. Our model adopts a “jumpy” planning strategy at the high level, which allows it to have a larger receptive field but at a lower computational cost—a crucial factor for diffusion-based planning methods, as we have empirically verified. Additionally, the jumpy sub-goals guide our low-level planner, facilitating a fine-tuning stage and further improving our approach’s effectiveness. We conducted empirical evaluations on standard offline reinforcement learning benchmarks, demonstrating our method’s superior performance and efficiency in terms of training and planning speed compared to the non-hierarchical Diffuser as well as other hierarchical planning methods. Moreover, we explore our model’s generalization capability, particularly on how our method improves generalization capabilities on compositional out-of-distribution tasks.

Label-efficient LiDAR-based 3D object detection is currently dominated by weak/semi-supervised methods. Instead of exclusively following one of them, we propose MixSup, a more practical paradigm simultaneously utilizing massive cheap coarse labels and a limited number of accurate labels for Mixed-grained Supervision. We start by observing that point clouds are usually textureless, making it hard to learn semantics. However, point clouds are geometrically rich and scale-invariant to the distances from sensors, making it relatively easy to learn the geometry of objects, such as poses and shapes. Thus, MixSup leverages massive coarse cluster-level labels to learn semantics and a few expensive box-level labels to learn accurate poses and shapes. We redesign the label assignment in mainstream detectors, which allows them seamlessly integrated into MixSup, enabling practicality and universality. We validate its effectiveness in nuScenes, Waymo Open Dataset, and KITTI, employing various detectors. MixSup achieves up to 97.31% of fully supervised performance, using cheap cluster annotations and only 10% box annotations. Furthermore, we utilize the emerging Segment Anything Model (SAM) to automatically generate massive coarse labels, further reducing the annotation burden. The code will be made publicly available.

We present PeFLL, a new personalized federated learning algorithm that improves over the state-of-the-art in three aspects: 1) it produces more accurate models, especially in the low-data regime, and not only for clients present during its training phase, but also for any that may emerge in the future; 2) it reduces the amount of on-client computation and client-server communication by providing future clients with ready-to-use personalized models that require no additional finetuning or optimization; 3) it comes with theoretical guarantees that establish generalization from the observed clients to future ones. At the core of PeFLL lies a learning-to-learn approach that jointly trains an embedding network and a hypernetwork. The embedding network is used to represent clients in a latent descriptor space in a way that reflects their similarity to each other. The hypernetwork takes as input such descriptors and outputs the parameters of fully personalized client models. In combination, both networks constitute a learning algorithm that achieves state-of-the-art performance in several personalized federated learning benchmarks.

We propose Reinforcement Learning from Contrastive Distillation (RLCD), a method for aligning language models to follow principles expressed in natural language (e.g., to be more harmless) without using human feedback. RLCD creates preference pairs from two contrasting model outputs, one using a positive prompt designed to encourage following the given principles, and one using a negative prompt designed to encourage violating them. Using two different prompts causes model outputs to be more differentiated on average, resulting in cleaner preference labels in the absence of human annotations. We then use the preference pairs to train a preference model, which is in turn used to improve a base unaligned language model via reinforcement learning. Empirically, RLCD outperforms RLAIF (Bai et al., 2022b) and context distillation (Huang et al., 2022) baselines across three diverse alignment tasks—harmlessness, helpfulness, and story outline generation—and when using both 7B and 30B model scales for simulating preference data

Automatic Sign Language Translation requires the integration of both computer vision and natural language processing to effectively bridge the communication gap between sign and spoken languages. However, the deficiency in large-scale training data to support sign language translation means we need to leverage resources from spoken language. We introduce, Sign2GPT, a novel framework for sign language translation that utilizes large-scale pretrained vision and language models via lightweight adapters for gloss-free sign language translation. The lightweight adapters are crucial for sign language translation, due to the constraints imposed by limited dataset sizes and the computational requirements when training with long sign videos.We also propose a novel pretraining strategy that directs our encoder to learn sign representations from automatically extracted pseudo-glosses without requiring gloss order information or annotations.We evaluate our approach on two public benchmark sign language translation datasets, namely RWTH-PHOENIX-Weather 2014T and CSL-Daily, and improve on state-of-the-art gloss-free translation performance with a significant margin.

Imitation learning considerably simplifies policy synthesis compared to alternative approaches by exploiting access to expert demonstrations. For such imitation policies, errors away from the training samples are particularly critical. Even rare slip-ups in the policy action outputs can compound quickly over time, since they lead to unfamiliar future states where the policy is still more likely to err, eventually causing task failures. We revisit simple supervised "behavior cloning" for conveniently training the policy from nothing more than pre-recorded demonstrations, but carefully design the model class to counter the compounding error phenomenon. Our "memory-consistent neural network" (MCNN) outputs are hard-constrained to stay within clearly specified permissible regions anchored to prototypical "memory" training samples. We provide a guaranteed upper bound for the sub-optimality gap induced by MCNN policies. Using MCNNs on 9 imitation learning tasks, with MLP, Transformer, and Diffusion backbones, spanning dexterous robotic manipulation and driving, proprioceptive inputs and visual inputs, and varying sizes and types of demonstration data, we find large and consistent gains in performance, validating that MCNNs are better-suited than vanilla deep neural networks for imitation learning applications

The information bottleneck (IB) approach is popular to improve the generalization, robustness and explainability of deep neural networks. Essentially, it aims to find a minimum sufficient representation $\mathbf{t}$ by striking a trade-off between a compression term, which is usually characterized by mutual information $I(\mathbf{x};\mathbf{t})$ where $\mathbf{x}$ refers to the input, and a prediction term usually characterized by $I(y;\mathbf{t})$ where $y$ is the desired response. Mutual information is for the IB for the most part expressed in terms of the Kullback-Leibler (KL) divergence, which in the regression case corresponds to prediction based on mean squared error (MSE) loss with Gaussian assumption and compression approximated by variational inference. In this paper, we study the IB principle for the regression problem and develop a new way to parameterize the IB with deep neural networks by exploiting favorable properties of the Cauchy-Schwarz (CS) divergence. By doing so, we move away from MSE-based regression and ease estimation by avoiding variational approximations or distributional assumptions. We investigate the improved generalization ability of our proposed CS-IB and demonstrate strong adversarial robustness guarantees. We demonstrate its superior performance on six real-world regression tasks over other popular deep IB approaches. We additionally observe that the solutions discovered by CS-IB always achieve the best trade-off between prediction accuracy and compression ratio in the information plane.

Generative models have gained more and more attention in recent years for their remarkable success in tasks that required estimating and sampling data distribution to generate high-fidelity synthetic data. In speech, text-to-speech synthesis and neural vocoder are good examples where generative models have shined. While generative models have been applied to different applications in speech, there exists no general-purpose generative model that models speech directly. In this work, we take a step toward this direction by showing a single pre-trained generative model can be adapted to different downstream tasks with strong performance. Specifically, we pre-trained a generative model, named SpeechFlow, on 60k hours of untranscribed speech with Flow Matching and masked conditions. Experiment results show the pre-trained generative model can be fine-tuned with task-specific data to match or surpass existing expert models on speech enhancement, separation, and synthesis. Our work suggested a foundational model for generation tasks in speech can be built with generative pre-training.

Despite their ubiquity in language generation, it remains unknown why truncation sampling heuristics like nucleus sampling are so effective. We provide a theoretical explanation for the effectiveness of the truncation sampling by proving that truncation methods that discard tokens below some probability threshold (the most common type of truncation) can guarantee that all sampled tokens have nonzero true probability. However, thresholds are a coarse heuristic, and necessarily discard some tokens with nonzero true probability as well. In pursuit of a more precise sampling strategy, we show that we can leverage a known source of model errors, the softmax bottleneck, to prove that certain tokens have nonzero true probability, without relying on a threshold. Based on our findings, we develop an experimental truncation strategy and the present pilot studies demonstrating the promise of this type of algorithm. Our evaluations show that our method outperforms its threshold-based counterparts under automatic and human evaluation metrics for low-entropy (i.e., close to greedy) open-ended text generation. Our theoretical findings and pilot experiments provide both insight into why truncation sampling works, and make progress toward more expressive sampling algorithms that better surface the generative capabilities of large language models.

Tracking biosignals is crucial for monitoring wellness and preempting the development of severe medical conditions. Today, wearable devices can conveniently record various biosignals, creating the opportunity to monitor health status without disruption to one's daily routine. Despite widespread use of wearable devices and existing digital biomarkers, the absence of curated data with annotated medical labels hinders the development of new biomarkers to measure common health conditions. In fact, medical datasets are usually small in comparison to other domains, which is an obstacle for developing neural network models for biosignals. To address this challenge, we have employed self-supervised learning using the unlabeled sensor data collected under informed consent from the large longitudinal Apple Heart and Movement Study (AHMS) to train foundation models for two common biosignals: photoplethysmography (PPG) and electrocardiogram (ECG) recorded on Apple Watch. We curated PPG and ECG datasets from AHMS that include data from ${\sim} 141$K participants spanning ${\sim} 3$ years. Our self-supervised learning framework includes participant level positive pair selection, stochastic augmentation module and a regularized contrastive loss optimized with momentum training, and generalizes well to both PPG and ECG modalities. We show that the pre-trained foundation models readily encode information regarding participants' demographics and health conditions. To the best of our knowledge, this is the first study that builds foundation models using large-scale PPG and ECG data collected via wearable consumer devices $\textendash$ prior works have commonly used smaller-size datasets collected in clinical and experimental settings. We believe PPG and ECG foundation models can enhance future wearable devices by reducing the reliance on labeled data and hold the potential to help the users improve their health.

Visual object tracking plays a critical role in visual-based autonomous systems, as it aims to estimate the position and size of the object of interest within a live video. Despite significant progress made in this field, state-of-the-art (SOTA) trackers often fail when faced with adversarial perturbations in the incoming frames. This can lead to significant robustness and security issues when these trackers are deployed in the real world. To achieve high accuracy on both clean and adversarial data, we propose building a spatial-temporal continuous representation using the semantic text guidance of the object of interest. This novel continuous representation enables us to reconstruct incoming frames to maintain semantic and appearance consistency with the object of interest and its clean counterparts. As a result, our proposed method successfully defends against different SOTA adversarial tracking attacks while maintaining high accuracy on clean data. In particular, our method significantly increases tracking accuracy under adversarial attacks with around 90% relative improvement on UAV123, which is even higher than the accuracy on clean data.

Offline reinforcement learning (RL) allows agents to learn effective, return-maximizing policies from a static dataset. Three popular algorithms for offline RL are Conservative Q-Learning (CQL), Behaviour Cloning (BC), and Decision Transformer (DT), from the class of Q-Learning, Imitation Learning, and Sequence Modeling respectively. A key open question is: which algorithm is preferred under what conditions? We study this question empirically by exploring the performance of these algorithms across the commonly used D4RL and Robomimic benchmarks. We design targeted experiments to understand their behavior concerning data suboptimality, task complexity, and stochasticity. Our key findings are: (1) DT requires more data than CQL to learn competitive policies but is more robust; (2) DT is a substantially better choice than both CQL and BC in sparse-reward and low-quality data settings; (3) DT and BC are preferable as task horizon increases, or when data is obtained from human demonstrators; and (4) CQL excels in situations characterized by the combination of high stochasticity and lower data quality. We also investigate architectural choices and scaling trends for DT on Atari and D4RL and make design/scaling recommendations. We find that scaling the amount of data for DT by 5x gives a 2.5x average score improvement on Atari.

Control of dynamic systems involving hybrid actions is a challenging task in robotics. To address this, we present a novel algorithm called Generalized Policy Iteration using Tensor Train (TTPI) that belongs to the class of Approximate Dynamic Programming (ADP). We use a low-rank tensor approximation technique called Tensor Train (TT) to approximate the state-value and advantage function which enables us to efficiently handle hybrid systems. We demonstrate the superiority of our approach over previous baselines for some benchmark problems with hybrid action spaces. Additionally, the robustness and generalization of the policy for hybrid systems are showcased through a real-world robotics experiment involving a non-prehensile manipulation task which is considered to be a highly challenging control problem.

Structure learning is a crucial task in science, especially in fields such as medicine and biology, where the wrong identification of (in)dependencies among random variables can have significant implications. The primary objective of structure learning is to learn a Directed Acyclic Graph (DAG) that represents the underlying probability distribution of the data. Many prominent DAG learners rely on least square losses or log-likelihood losses for optimization. It is well-known from regression models that least square losses are heavily influenced by the scale of the variables. Recently it has been demonstrated that the scale of data also affects performance of structure learning algorithms, though with a strong focus on linear 2-node systems and simulated data. Moving beyond these results, we provide conditions under which square-based losses are minimal for wrong DAGs in $d$-dimensional cases. Furthermore, we also show that scale can impair performance of structure learners if relations among variables are non-linear for both square based and log-likelihood based losses. We confirm our theoretical findings through extensive experiments on synthetic and real-world data.

Despite the success of large language models (LLMs), the task of theorem proving still remains one of the hardest reasoning tasks that is far from being fully solved. Prior methods using language models have demonstrated promising results, but they still struggle to prove even middle school level theorems. One common limitation of these methods is that they assume a fixed theorem library during the whole theorem proving process. However, as we all know, creating new useful theorems or even new theories is not only helpful but crucial and necessary for advancing mathematics and proving harder and deeper results.In this work, we present LEGO-Prover, which employs a growing skill library containing verified lemmas as skills to augment the capability of LLMs used in theorem proving. By constructing the proof modularly, LEGO-Prover enables LLMs to utilize existing skills retrieved from the library and to create new skills during the proving process. These skills are further evolved (by prompting an LLM) to enrich the library on another scale. Modular and reusable skills are constantly added to the library to enable tackling increasingly intricate mathematical problems. Moreover, the learned library further bridges the gap between human proofs and formal proofs by making it easier to impute missing steps. LEGO-Prover advances the state-of-the-art pass rate on miniF2F-valid (48.0\% to 57.0\%) and miniF2F-test (45.5\% to 50.0\%). During the proving process, LEGO-Prover also generates over 20,000 skills (theorems/lemmas) and adds them to the growing library. Our ablation study indicates that these newly added skills are indeed helpful for proving theorems, resulting in a 4.9\% improvement in success rate

Recent text-to-3D generation methods achieve impressive 3D content creation capacity thanks to the advances in image diffusion models and optimizing strategies. However, current methods struggle to generate correct 3D content for a complex prompt in semantics, i.e., a prompt describing multiple interacted objects binding with different attributes. In this work, we propose a general framework named Progressive3D, which decomposes the entire generation into a series of locally progressive editing steps to create precise 3D content for complex prompts, and we constrain the content change to only occur in regions determined by user-defined region prompts in each editing step. Furthermore, we propose an overlapped semantic component suppression technique to encourage the optimization process to focus more on the semantic differences between prompts. Extensive experiments demonstrate that the proposed Progressive3D framework generates precise 3D content for prompts with complex semantics through progressive editing steps and is general for various text-to-3D methods driven by different 3D representations.

Learning physical simulations has been an essential and central aspect of many recent research efforts in machine learning, particularly for Navier-Stokes-based fluid mechanics. Classic numerical solvers have traditionally been computationally expensive and challenging to use in inverse problems, whereas Neural solvers aim to address both concerns through machine learning. We propose a general formulation for continuous convolutions using separable basis functions as a superset of existing methods and evaluate a large set of basis functions in the context of (a) a compressible 1D SPH simulation, (b) a weakly compressible 2D SPH simulation, and (c) an incompressible 2D SPH Simulation. We demonstrate that even and odd symmetries included in the basis functions are key aspects of stability and accuracy.Our broad evaluation shows that Fourier-based continuous convolutions outperform all other architectures regarding accuracy and generalization. Finally, using these Fourier-based networks, we show that prior inductive biases, such as window functions, are no longer necessary. An implementation of our approach, as well as complete datasets and solver implementations, is available at REDACTED FOR DOUBLE-BLIND REVIEW.

Sequential models, such as Recurrent Neural Networks and Neural Ordinary Differential Equations, have long suffered from slow training due to their inherent sequential nature.For many years this bottleneck has persisted, as many thought sequential models could not be parallelized.We challenge this long-held belief with our parallel algorithm that accelerates GPU evaluation of sequential models by up to 3 orders of magnitude faster without compromising output accuracy.The algorithm does not need any special structure in the sequential models' architecture, making it applicable to a wide range of architectures.Using our method, training sequential models can be more than 10 times faster than the common sequential method without any meaningful difference in the training results.Leveraging this accelerated training, we discovered the efficacy of the Gated Recurrent Unit in a long time series classification problem with 17k time samples.By overcoming the training bottleneck, our work serves as the first step to unlock the potential of non-linear sequential models for long sequence problems.

Not all positive pairs are beneficial to time series contrastive learning. In this paper, we study two types of bad positive pairs that can impair the quality of time series representation learned through contrastive learning: the noisy positive pair and the faulty positive pair. We observe that, with the presence of noisy positive pairs, the model tends to simply learn the pattern of noise (Noisy Alignment). Meanwhile, when faulty positive pairs arise, the model wastes considerable amount of effort aligning non-representative patterns (Faulty Alignment). To address this problem, we propose a Dynamic Bad Pair Mining (DBPM) algorithm, which reliably identifies and suppresses bad positive pairs in time series contrastive learning. Specifically, DBPM utilizes a memory module to dynamically track the training behavior of each positive pair along training process. This allows us to identify potential bad positive pairs at each epoch based on their historical training behaviors. The identified bad pairs are subsequently down-weighted through a transformation module, thereby mitigating their negative impact on the representation learning process. DBPM is a simple algorithm designed as a lightweight plug-in without learnable parameters to enhance the performance of existing state-of-the-art methods. Through extensive experiments conducted on four large-scale, real-world time series datasets, we demonstrate DBPM's efficacy in mitigating the adverse effects of bad positive pairs. Codes are available at Anonymous GitHub.

While contrastive self-supervised learning has become the de-facto learning paradigm for graph neural networks, the pursuit of higher task accuracy requires a larger hidden dimensionality to learn informative and discriminative full-precision representations, raising concerns about computation, memory footprint, and energy consumption burden (largely overlooked) for real-world applications. This work explores a promising direction for graph contrastive learning (GCL) with spiking neural networks (SNNs), which leverage sparse and binary characteristics to learn more biologically plausible and compact representations. We propose SpikeGCL, a novel GCL framework to learn binarized 1-bit representations for graphs, making balanced trade-offs between efficiency and performance. We provide theoretical guarantees to demonstrate that SpikeGCL has comparable expressiveness with its full-precision counterparts. Experimental results demonstrate that, with nearly 32x representation storage compression, SpikeGCL is either comparable to or outperforms many fancy state-of-the-art supervised and self-supervised methods across several graph benchmarks.

We present a neural network architecture designed to naturally learn a positional embedding and overcome the spectral bias towards lower frequencies faced by conventional implicit neural representation networks. Our proposed architecture, SPDER, is a simple MLP that uses an activation function composed of a sinusoidal multiplied by a sublinear function, called the damping function. The sinusoidal enables the network to automatically learn the positional embedding of an input coordinate while the damping passes on the actual coordinate value by preventing it from being projected down to within a finite range of values. Our results indicate that SPDERs speed up training by 10 times and converge to losses 1,500 to 50,000 times lower than that of the state-of-the-art for image representation. SPDER is also state-of-the-art in audio representation. The superior representation capability allows SPDER to also excel on multiple downstream tasks such as image super-resolution and video frame interpolation. We provide intuition as to why SPDER significantly improves fitting compared to that of other INR methods while requiring no hyperparameter tuning or preprocessing.

We present ImplicitSLIM, a novel unsupervised learning approach for sparse high-dimensional data, with applications to collaborative filtering. Sparse linear methods (SLIM) and their variations show outstanding performance, but they are memory-intensive and hard to scale. ImplicitSLIM improves embedding-based models by extracting embeddings from SLIM-like models in a computationally cheap and memory-efficient way, without explicit learning of heavy SLIM-like models. We show that ImplicitSLIM improves performance and speeds up convergence for both state of the art and classical collaborative filtering methods.

Current model-based reinforcement learning (MBRL) agents struggle with long-term dependencies. This limits their ability to effectively solve tasks involving extended time gaps between actions and outcomes, or tasks demanding the recalling of distant observations to inform current actions. To improve temporal coherence, we integrate a new family of state space models (SSMs) in world models of MBRL agents to present a new method, Recall to Imagine (R2I). This integration aims to enhance both long-term memory and long-horizon credit assignment. Through a diverse set of illustrative tasks, we systematically demonstrate that R2I establishes a new state-of-the-art performance in challenging memory and credit assignment RL tasks, such as Memory Maze, BSuite, and POPGym. At the same time, it upholds comparable performance in classic RL tasks, such as Atari and DMC, suggesting the generality of our method. We also show that R2I is faster than the state-of-the-art MBRL method, DreamerV3, resulting in faster wall-time convergence.

Image interpolation based on diffusion models is promising in creating fresh and interesting images. Advanced interpolation methods mainly focus on linear spherical interpolation, delivering remarkable success for images generated by diffusion models.However, existing methods struggle with natural images (not generated by diffusion models), limiting practical applications.Our investigation into the interpolation process has unveiled that its shortcomings are rooted in the introduction of inappropriate noise, which may either exceed or fall below the denoising threshold, leading to issues such as image artifacts and information loss in the interpolated images. To address this issue, we initially investigated a direct noise addition method, which improved image quality but introduced unwanted information. Drawing from these findings, we subsequently developed a novel interpolation approach that harnesses the advantages of both techniques. This approach retains the valuable noise with information from the original images while introducing a subtle Gaussian noise to enhance interpolation quality. Moreover, we introduced an innovative constraint on the noise component responsible for generating artifacts and incorporated original image to supplement missing information.These enhancements not only improved the interpolation results for images within the training domain but also extended the capability to interpolate with natural images beyond the training domain, achieving in the best interpolation results to date.

Medical applications of machine learning (ML) have experienced a surge in popularity in recent years. Given the abundance of available data from electronic health records, the intensive care unit (ICU) is a natural habitat for ML. Models have been proposed to address numerous ICU prediction tasks like the early detection of complications. While authors frequently report state-of-the-art performance, it is challenging to verify claims of superiority. Datasets and code are not always published, and cohort definitions, preprocessing pipelines, and training setups are difficult to reproduce. This work introduces Yet Another ICU Benchmark (YAIB), a modular framework that allows researchers to define reproducible and comparable clinical ML experiments; we offer an end-to-end solution from cohort definition to model evaluation. The framework natively supports most open-access ICU datasets (MIMIC III/IV, eICU, HiRID, AUMCdb) and is easily adaptable to future ICU datasets. Combined with a transparent preprocessing pipeline and extensible training code for multiple ML and deep learning models, YAIB enables unified model development, transfer, and evaluation. Our benchmark comes with five predefined established prediction tasks (mortality, acute kidney injury, sepsis, kidney function, and length of stay) developed in collaboration with clinicians. Adding further tasks is straightforward by design. Using YAIB, we demonstrate that the choice of dataset, cohort definition, and preprocessing have a major impact on the prediction performance — often more so than model class — indicating an urgent need for YAIB as a holistic benchmarking tool. We provide our work to the clinical ML community to accelerate method development and enable real-world clinical implementations.

While Large Language Models (LLMs) are the dominant models for generative tasks in language, they do not perform as well as diffusion models on image and video generation. To effectively use LLMs for visual generation, one crucial component is the visual tokenizer that maps pixel-space inputs to discrete tokens appropriate for LLM learning. In this paper, we introduce \modelname{}, a video tokenizer designed to generate concise and expressive tokens for both videos and images using a common token vocabulary. Equipped with this new tokenizer, we show that LLMs outperform diffusion models on standard image and video generation benchmarks including ImageNet and Kinetics. In addition, we demonstrate that our tokenizer surpasses the previously top-performing video tokenizer on two more tasks: (1) video compression comparable to the next-generation video codec (VCC) according to human evaluations, and (2) learning effective representations for action recognition tasks.

Large-scale protein language models (PLMs), such as the ESM family, have achieved remarkable performance in various downstream tasks related to protein structure and function by undergoing unsupervised training on residue sequences. They have become essential tools for researchers and practitioners in biology. However, a limitation of vanilla PLMs is their lack of explicit consideration for protein structure information, which suggests the potential for further improvement. Motivated by this, we introduce the concept of a ``structure-aware vocabulary" that integrates residue tokens with structure tokens. The structure tokens are derived by encoding the 3D structure of proteins using Foldseek. We then propose SaProt, a large-scale general-purpose PLM trained on an extensive dataset comprising approximately 40 million protein sequences and structures. Through extensive evaluation, our SaProt model surpasses well-established and renowned baselines across 10 significant downstream tasks, demonstrating its exceptional capacity and broad applicability. We have made the code, pre-trained model, and all relevant materials available at https://github.com/SaProt/SaProt.

Supervised learning datasets may contain multiple cues that explain the training set equally well, i.e., learning any of them would lead to the correct predictions on the training data. However, many of them can be spurious, i.e., lose their predictive power under a distribution shift and consequently fail to generalize to out-of-distribution (OOD) data. Recently developed "diversification" methods (Lee et al., 2023; Pagliardini et al., 2023) approach this problem by finding multiple diverse hypotheses that rely on different features. This paper aims to study this class of methods and identify the key components contributing to their OOD generalization abilities.We show that (1) diversification methods are highly sensitive to the distribution of the unlabeled data used for diversification and can underperform significantly when away from a method-specific sweet spot. (2) Diversification alone is insufficient for OOD generalization. The choice of the used learning algorithm, e.g., the model's architecture and pretraining, is crucial. In standard experiments (classification on Waterbirds and Office-Home datasets), using the second-best choice leads to an up to 20\% absolute drop in accuracy. (3) The optimal choice of learning algorithm depends on the unlabeled data and vice versa i.e. they are co-dependent. (4) Finally, we show that, in practice, the above pitfalls cannot be alleviated by increasing the number of diverse hypotheses, the major feature of diversification methods.These findings provide a clearer understanding of the critical design factors influencing the OOD generalization abilities of diversification methods. They can guide practitioners in how to use the existing methods best and guide researchers in developing new, better ones.

Embodied AI models often employ off the shelf vision backbones like CLIP to encode their visual observations. Although such general purpose representations encode rich syntactic and semantic information about the scene, much of this information is often irrelevant to the specific task at hand. This introduces noise within the learning process and distracts the agent's focus from task-relevant visual cues.Inspired by selective attention in humans—the process through which people filter their perception based on their experiences, knowledge, and the task at hand—we introduce a parameter-efficient approach to filter visual stimuli for embodied AI.Our approach induces a task-conditioned bottleneck using a small learnable codebook module. This codebook is trained jointly to optimize task reward and acts as a task-conditioned selective filter over the visual observation.Our experiments showcase state-of-the-art performance for object goal navigation and object displacement across $5$ benchmarks, ProcTHOR, ArchitecTHOR, RoboTHOR, AI2-iTHOR, and ManipulaTHOR. The filtered representations produced by the codebook are also able generalize better and converge faster when adapted to other simulation environments such as Habitat. Our qualitative analyses show that agents explore their environments more effectively and their representations retain task-relevant information like target object recognition while ignoring superfluous information about other objects.

Conventional Time Series Classification (TSC) methods are often black boxes that obscure inherent interpretation of their decision-making processes. In this work, we leverage Multiple Instance Learning (MIL) to overcome this issue, and propose a new framework called MILLET: Multiple Instance Learning for Locally Explainable Time series classification. We apply MILLET to existing deep learning TSC models and show how they become inherently interpretable without compromising (and in some cases, even improving) predictive performance. We evaluate MILLET on 85 UCR TSC datasets and also present a novel synthetic dataset that is specially designed to facilitate interpretability evaluation. On these datasets, we show MILLET produces sparse explanations quickly that are of higher quality than other well-known interpretability methods. To the best of our knowledge, our work with MILLET is the first to develop general MIL methods for TSC and apply them to an extensive variety of domains.

Open-ended algorithms aim to learn new, interesting behaviors forever. That requires a vast environment search space, but there are thus infinitely many possible tasks. Even after filtering for tasks the current agent can learn (i.e., learning progress), countless learnable yet uninteresting tasks remain (e.g., minor variations of previously learned tasks). An Achilles Heel of open-endedness research is the inability to quantify (and thus prioritize) tasks that are not just learnable, but also $\textit{interesting}$ (e.g., worthwhile and novel). We propose solving this problem by $\textit{Open-endedness via Models of human Notions of Interestingness}$ (OMNI). The insight is that we can utilize large (language) models (LMs) as a model of interestingness (MoI), because they $\textit{already}$ internalize human concepts of interestingness from training on vast amounts of human-generated data, where humans naturally write about what they find interesting or boring. We show that LM-based MoIs improve open-ended learning by focusing on tasks that are both learnable $\textit{and interesting}$, outperforming baselines based on uniform task sampling or learning progress alone. This approach has the potential to dramatically advance the ability to intelligently select which tasks to focus on next (i.e., auto-curricula), and could be seen as AI selecting its own next task to learn, facilitating self-improving AI and AI-Generating Algorithms.

The ever-increasing token limits of large language models (LLMs) have enabled long context as input. Many LLMs are trained/fine-tuned to perform zero-shot/few-shot inference using instruction-based prompts. Crafting prompts for these LLMs typically requires the user to provide a detailed task description, demonstrations, and single example of context for inference. This regular prompt baseline is referred to as “SinglePrompt” in this paper. However, for NLP tasks where each data point for inference is not necessarily lengthy, the token countfor instructions and few-shot examples in the prompt may be considerably larger than that of the data point, resulting in lower token-resource utilization compared with encoder-based models like fine-tuned BERT. This cost-efficiency issue, affecting inference speed and compute budget, counteracts the many benefits LLMs have to offer. This paper aims to alleviate the preceding problem by batching multiple data points into a single prompt, a prompting strategy we refer to as “BatchPrompt”. This strategy increases the “density” of data points, which in turn leads to improved token utilization. Applying BatchPrompt na ̈ıvely, however, is very challenging due to significant performance degradation, as observed in our experiments. We also noticed varying inference outcomes for the same data points appearing in different positions within a prompt. Based on this observation, to address the quality issue while remain high token-resource utilization, we introduce Batch Permutation and Ensembling (BPE) for BatchPrompt, a simple majority voting way that recovers labeling quality through repeatedly permutating data positions in a batch at the price of more token usage. To counterbalance the additional token usage caused by the voting process, we further propose Self-reflection-guided EArly Stopping (SEAS), which can terminate the voting process early for data points the LLM confidently handles. Our comprehensive experimental evaluation demonstrates that BPE +SEAS can boost the performance of BatchPrompt with a striking margin on a range of popular NLP tasks, including question answering (Boolq), textual entailment (RTE), and duplicate questions identification (QQP). These performances are even competitive with/higher than single-data prompting (SinglePrompt), while BatchPrompt requires much fewer LLM calls and input tokens (For SinglePrompt v.s. BatchPrompt+BPE +SEAS with batch size 32, using just 15.7% the number of LLM calls, Boolq accuracy 90.6% → 90.9% with 27.4% tokens, QQP accuracy 87.2% → 88.4% with 18.6% tokens, RTE accuracy 91.5% → 91.1% with 30.8% tokens). We hope our simple yet effective approach will shed light on the future research of large language models. The code will be released.

In the realm of self-supervised learning (SSL), masked image modeling (MIM) has gained popularity alongside contrastive learning methods. MIM involves reconstructing masked regions of input images using unmasked portions. A notable subset of MIM methodologies employs discrete visual tokens as reconstruction target. This study explores the role of discrete visual tokens in MIM, with the aim of decoding their potential benefits and inherent constraints. Building upon the connection between MIM and contrastive learning, we provide comprehensive explanations on how discrete tokenization affects generalization performance of MIM. Furthermore, we introduce a novel metric designed to quantify the proficiency of discrete visual tokens in the MIM framework. Inspired by this metric, we contribute an accessible tokenizer design and demonstrate its superior performance across various benchmark datasets and ViT backbones.

Existing graph matching methods typically assume that there are similar structures between graphs and they are matchable. However, these assumptions do not align with real-world applications. This work addresses a more realistic scenario where graphs exhibit diverse modes, requiring graph grouping before or along with matching, a task termed mixture graph matching and clustering. We introduce Minorize-Maximization Matching and Clustering (M3C), a learning-free algorithm that guarantees theoretical convergence through the Minorize-Maximization framework and offers enhanced flexibility via relaxed clustering. Building on M3C, we develop UM3C, an unsupervised model that incorporates novel edge-wise affinity learning and pseudo label selection. Extensive experimental results on public benchmarks demonstrate that our method outperforms state-of-the-art graph matching and mixture graph matching and clustering approaches in both accuracy and efficiency. Source code will be made publicly available.

Deploying reinforcement learning (RL) systems requires robustness to uncertainty and model misspecification, yet prior robust RL methods typically only study noise introduced independently across time. However, practical sources of uncertainty are usually coupled across time.We formally introduce temporally-coupled perturbations, presenting a novel challenge for existing robust RL methods. To tackle this challenge, we propose GRAD, a novel game-theoretic approach that treats the temporally-coupled robust RL problem as a partially-observable two-player zero-sum game. By finding an approximate equilibrium within this game, GRAD optimizes for general robustness against temporally-coupled perturbations. Experiments on continuous control tasks demonstrate that, compared with prior methods, our approach achieves a higher degree of robustness to various types of attacks on different attack domains, both in settings with temporally-coupled perturbations and decoupled perturbations.

3D visual grounding is the ability to localize objects in 3D scenes conditioned onan input utterance. Most existing methods devote the referring head to localize thereferred object directly. However, this approach will fail in complex scenarios andnot illustrate how and why the network reaches the final decision. In this paper,we address this question “Can we design an interpretable 3D visual groundingframework that has the potential to mimic the human perception system?”. To thisend, we formulate the 3D visual grounding problem as a sequence-to-sequence(Seq2Seq) task by first predicting a chain of anchors and then utilizing them to pre-dict the final target. Following the chain of thoughts approach enables us to decom-pose the referring task into interpretable intermediate steps, which in turn, booststhe performance and makes our framework extremely data-efficient. Interpretabil-ity not only improves the overall performance but also helps us identify failurecases. Moreover, our proposed framework can be easily integrated into any existingarchitecture. We validate our approach through comprehensive experiments on theNr3D and Sr3D benchmarks and show consistent performance gains compared toexisting methods without requiring any manually annotated data. Furthermore, ourproposed framework, dubbed CoT3DRef, is significantly data-efficient, whereaswhen trained only on 10% of the data, we match the SOTA performance that trainedon the entire data. The code is available at https://cot3dref.github.io/.

Recent advancements in meta-learning have enabled the automatic discovery of novel reinforcement learning algorithms parameterized by surrogate objective functions. To improve upon manually designed algorithms, the parameterization of this learned objective function must be expressive enough to represent novel principles of learning (instead of merely recovering already established ones) while still generalizing to a wide range of settings outside of its meta-training distribution. However, existing methods focus on discovering objective functions that, like many widely used objective functions in reinforcement learning, do not take into account the total number of steps allowed for training, or “training horizon”. In contrast, humans use a plethora of different learning objectives across the course of acquiring a new ability. For instance, students may alter their studying techniques based on the proximity to exam deadlines and their self-assessed capabilities. This paper contends that ignoring the optimization time horizon significantly restricts the expressive potential of discovered learning algorithms. We propose a simple augmentation to two existing objective discovery approaches that allows the discovered algorithm to dynamically update its objective function throughout the agent’s training procedure, resulting in expressive schedules and increased generalization across different training horizons. In the process, we find that commonly used meta-gradient approaches fail to discover such adaptive objective functions while evolution strategies discover highly dynamic learning rules. We demonstrate the effectiveness of our approach on a wide range of tasks and analyze the resulting learned algorithms, which we find effectively balance exploration and exploitation by modifying the structure of their learning rules throughout the agent’s lifetime.

Electroencephalography (EEG) signals, known for the convenient non-invasive acquisition but low signal-to-noise, have recently gained substantial attention due to the potential to decode natural images. This paper presents a self-supervised framework to demonstrate the feasibility of learning image representations from EEG signals, particularly for object recognition. The framework utilizes image and EEG encoders to extract features from paired image stimuli and EEG responses. Contrastive learning aligns these two modalities by constraining their similarity. With the framework, we attain significantly above-chance results on a comprehensive EEG-image dataset, achieving a top-1 accuracy of 15.6% and a top-5 accuracy of 42.8% in challenging 200-way zero-shot tasks. Moreover, we perform extensive experiments to explore the biological plausibility by resolving the temporal, spatial, spectral, and semantic aspects of EEG signals. Besides, we introduce attention modules to capture spatial correlations, providing implicit evidence of the brain activity perceived from EEG data. These findings yield valuable insights for neural decoding and brain-computer interfaces in real-world scenarios.

The premise of identifiable and causal representation learning is to improve the current representation learning paradigm in terms of generalizability or robustness. Despite recent progress in questions of identifiability, more theoretical results demonstrating concrete advantages of these methods for downstream tasks are needed. In this paper, we consider the task of intervention extrapolation: predicting how interventions affect an outcome, even when those interventions are not observed at training time, and show that identifiable representations can provide an effective solution to this task even if the interventions affect the outcome non-linearly. Our setup includes an outcome variable $Y$, observed features $X$, which are generated as a non-linear transformation of latent features $Z$, and exogenous action variables $A$, which influence $Z$. The objective of intervention extrapolation is then to predict how interventions on $A$ that lie outside the training support of $A$ affect $Y$. Here, extrapolation becomes possible if the effect of $A$ on $Z$ is linear and the residual when regressing Z on A has full support. As $Z$ is latent, we combine the task of intervention extrapolation with identifiable representation learning, which we call $\texttt{Rep4Ex}$: we aim to map the observed features $X$ into a subspace that allows for non-linear extrapolation in $A$. We show using Wiener’s Tauberian theorem that the hidden representation is identifiable up to an affine transformation in $Z$-space, which, we prove, is sufficient for intervention extrapolation. The identifiability is characterized by a novel constraint describing the linearity assumption of $A$ on $Z$. Based on this insight, we propose a flexible method that enforces the linear invariance constraint and can be combined with any type of autoencoder. We validate our theoretical findings through a series of synthetic experiments and show that our approach can indeed succeed in predicting the effects of unseen interventions.

We introduce a highly performant 3D object detector for point clouds using the DETR framework. The prior attempts all end up with suboptimal results because they fail to learn accurate inductive biases from the limited scale of training data. In particular, the queries often attend to points that are far away from the target objects, violating the locality principle in object detection. To address the limitation, we introduce a novel 3D Vertex Relative Position Encoding (3DV-RPE) method which computes position encoding for each point based on its relative position to the 3D boxes predicted by the queries in each decoder layer, thus providing clear information to guide the model to focus on points near the objects, in accordance with the principle of locality. Furthermore, we have systematically refined our pipeline, including data normalization, to better align with the task requirements. Our approach demonstrates remarkable performance on the demanding ScanNetV2 benchmark, showcasing substantial enhancements over the prior state-of-the-art CAGroup3D. Specifically, we achieve an increase in $AP_{25}$ from $75.1\%$ to $77.8\%$ and in ${AP}_{50}$ from $61.3\%$ to $66.0\%$, all while achieving a nearly $2\times$ speed improvement during inference.

Recent advances in the theory of Neural Operators (NOs) have enabled fast and accurate computation of the solutions to complex systems described by partial differential equations (PDEs). Despite their great success, current NO-based solutions face important challenges when dealing with spatio-temporal PDEs over long time scales. Specifically, the current theory of NOs does not present a systematic framework to perform data assimilation and efficiently correct the evolution of PDE solutions over time based on sparsely sampled noisy measurements. In this paper, we propose a learning-based state-space approach to compute the solution operators to infinite-dimensional semilinear PDEs. Exploiting the structure of semilinear PDEs and the theory of nonlinear observers in function spaces, we develop a flexible recursive method that allows for both prediction and data assimilation by combining prediction and correction operations. The proposed framework is capable of producing fast and accurate predictions over long time horizons, dealing with irregularly sampled noisy measurements to correct the solution, and benefits from the decoupling between the spatial and temporal dynamics of this class of PDEs. We show through experiments on the Kuramoto-Sivashinsky, Navier-Stokes and Korteweg-de Vries equations that the proposed model is robust to noise and can leverage arbitrary amounts of measurements to correct its prediction over a long time horizon with little computational overhead.

As the role of LLMs shifts from statistical modeling of language to serving as general-purpose AI agents, how should LLM evaluations change? Arguably, a key ability of an AI agent is to flexibly combine, as needed, the basic skills it has learned. This capability to combine skills plays an important role in (human) pedagogy and also in a recent paper on emergence phenomena (Arora & Goyal,2023). Our paper introduces an evaluation, Skill-Mix, to measure this capability. Using a list of $N$ skills the evaluator repeatedly picks random subsets of $k$ skills and asks the LLM to produce text combining that subset of skills. Since the number of subsets grows like $N^k$, for even modest $k$ this evaluation will, with high probability, require the LLM to produce text it has not seen in the training set. The paper develops a methodology for (a) designing and administering such an evaluation, and (b) automatic grading (plus spot-checking by humans) of the results using the open LLaMA-2 70b model as well as GPT-4. Administering a version of Skill-Mix to popular chatbots gave results that, while generally in line with prior expectations, contained surprises. We found sizeable differences in capabilities among models ---including suspected cases of ``cramming for the leaderboard''--- that had not been revealed by the (much simpler) evaluations used in popular LLM leaderboards. Our methodology can flexibly change to future models and model capabilities, by expanding the set of skills being tested and increasing $k$. We hope Skill-Mix (which will be publicly released, including all prompts and code) may grow into an eco-system of open evaluations for AI capabilities, including in multi-modal settings.

Retrieval augmentation addresses many critical problems in large language models such as hallucination, staleness, and privacy leaks.However, running retrieval-augmented language models (LMs) is slow and difficult to scale due to processing large amounts of retrieved text. We introduce binary token representations (BTR), which use 1-bit vectors to precompute every token in passages, significantly reducing computation during inference. Despite the potential loss of accuracy, our new calibration techniques and training objectives restore performance. Combined with offline and runtime compression, this only requires 127GB of disk space for encoding 3 billion tokens in Wikipedia.Our experiments show that on five knowledge-intensive NLP tasks, BTR accelerates state-of-the-art inference by up to 4x and reduces storage by over 100x while maintaining over 95% task performance. Our code will be publicly available.

Learning inherently interpretable policies is a central challenge in the path to developing autonomous agents that humans can trust. Linear policies can justify their decisions while interacting in a dynamic environment, but their reduced expressivity prevents them from solving hard tasks. Instead, we argue for the use of piecewise-linear policies. We carefully study to what extent they can retain the interpretable properties of linear policies while reaching competitive performance with neural baselines. In particular, we propose the HyperCombinator (HC), a piecewise-linear neural architecture expressing a policy with a controllably small number of sub-policies. Each sub-policy is linear with respect to interpretable features, shedding light on the decision process of the agent without requiring an additional explanation model. We evaluate HC policies in control and navigation experiments, visualize the improved interpretability of the agent and highlight its trade-off with performance. Moreover, we validate that the restricted model class that the HyperCombinator belongs to is compatible with the algorithmic constraints of various reinforcement learning algorithms.

Multimodal patient representation learning aims to integrate information from multiple modalities and generate comprehensive patient representations for subsequent clinical predictive tasks. However, many existing approaches either presuppose the availability of all modalities and labels for each patient or only deal with missing modalities. In reality, patient data often comes with both missing modalities and labels for various reasons (i.e., the missing modality and label issue). Moreover, multimodal models might over-rely on certain modalities, causing sub-optimal performance when these modalities are absent (i.e., the modality collapse issue). To address these issues, we introduce MUSE: a mutual-consistent graph contrastive learning method. MUSE uses a flexible bipartite graph to represent the patient-modality relationship, which can adapt to various missing modality patterns. To tackle the modality collapse issue, MUSE learns to focus on modality-general and label-decisive features via a mutual-consistent contrastive learning loss. Notably, the unsupervised component of the contrastive objective only requires self-supervision signals, thereby broadening the training scope to incorporate patients with missing labels. We evaluate MUSE on three publicly available datasets: MIMIC-IV, eICU, and ADNI. Results show that MUSE outperforms all baselines, and MUSE+ further elevates the absolute improvement to ~4% by extending the training scope to patients with absent labels.

Large language models (LLMs) have emerged as powerful techniques for various NLP tasks, such as mathematical reasoning and plan generation. In this paper, we study automatic modeling and programming for complex operation research (OR) problems, so as to alleviate the heavy dependence on domain experts and benefit a spectrum of industry sectors. We present the first LLM-based solution, namely Chain-of-Experts (CoE), a novel multi-agent cooperative framework to enhance reasoning capabilities. Specifically, each agent is assigned a specific role and endowed with domain knowledge related to OR. We also introduce a conductor to orchestrate these agents via forward thought construction and backward reflection mechanism. Furthermore, we release a benchmark dataset (ComplexOR) of complex OR problems to facilitate OR research and community development. Experimental results show that CoE significantly outperforms the state-of-the-art LLM-based approaches both on LPWP and ComplexOR.

Daily internet communication relies heavily on tree-structured graphs, embodied by popular data formats such as XML and JSON. However, many recent generative (probabilistic) models utilize neural networks to learn a probability distribution over undirected cyclic graphs. This assumption of a generic graph structure brings various computational challenges, and, more importantly, the presence of non-linearities in neural networks does not permit tractable probabilistic inference. We address these problems by proposing sum-product-set networks, an extension of probabilistic circuits from unstructured tensor data to tree-structured graph data. To this end, we use random finite sets to reflect a variable number of nodes and edges in the graph and to allow for exact and efficient inference. We demonstrate that our tractable model performs comparably to various intractable models based on neural networks.

Vision Transformers (ViTs) are now flourishing in the computer vision area. Despite the remarkable success, ViTs suffer from high computational cost, which greatly hinders their practical usage. Token reduction, which identifies and discards unimportant tokens during forward propagation, has then been proposed to make ViTs more efficient. For token reduction methodologies, a scoring metric is essential to distinguish between important and unimportant tokens. The attention score from the $\mathrm{[CLS]}$ token, which takes the responsibility to aggregate useful information and form the final output, has been established by prior works as an advantageous choice. Nevertheless, whereas the task pressure is applied at the end of the whole model, token reduction generally starts from very early blocks. Given the long distance in between, in the early blocks $\mathrm{[CLS]}$ token lacks the impetus to gather task-relevant information, causing somewhat arbitrary attention score allocation. This phenomenon, in turn, degrades the reliability of token scoring and substantially compromises the effectiveness of token reduction methods. Inspired by advances in the domain of dynamic neural networks, in this paper, we introduce Multi-Exit Token Reduction (METR), a simple romance between multi-exit architecture and token reduction—two areas previously considered orthogonal. By injecting early task pressure via multi-exit loss, the $\mathrm{[CLS]}$ token is spurred to collect task-related information in even early blocks, thus bolstering the credibility of $\mathrm{[CLS]}$ attention as a token-scoring metric. Additionally, we employ self-distillation to further refine the quality of early supervision. Extensive experiments substantiate both the existence and effectiveness of the newfound chemistry. Comparative assessments also indicate that METR outperforms state-of-the-art token reduction methods on standard benchmarks, especially under aggressive reduction ratio. Codes will be released.

We identify a new phenomenon in neural network optimization which arises from the interaction of depth and a particular heavy-tailed structure in natural data. Our result offers intuitive explanations for several previously reported observations about network training dynamics, including a conceptually new cause for progressive sharpening and the edge of stability. We further draw connections to related phenomena in optimization including grokking and simplicity bias.Experimentally, we demonstrate the significant influence of paired groups of outliers in the training data with strong \emph{opposing signals}: consistent, large magnitude features which dominate the network output and occur in both groups with similar frequency.Due to these outliers, early optimization enters a narrow valley which carefully balances the opposing groups; subsequent sharpening causes their loss to rise rapidly, oscillating between high on one group and then the other, until the overall loss spikes. We complement these experiments with a theoretical analysis of a two-layer linear network on a simple model of opposing signals. Our finding enables new qualitative predictions of training behavior which we confirm experimentally. It also provides a new lens through which to study and improve modern training practices for stochastic optimization. For instance, we identify two small modifications to Momentum SGD which result in performance that matches adaptive methods in settings where it has traditionally faltered---including on attention models.

Constructing states from sequences of observations is an important component of reinforcement learning agents. One solution for state construction is to use recurrent neural networks. Back-propagation through time (BPTT), and real-time recurrent learning (RTRL) are two popular gradient-based methods for recurrent learning. BPTT requires complete trajectories of observations before it can compute the gradients and is unsuitable for online updates. RTRL can do online updates but scales poorly to large networks. In this paper, we propose two constraints that make RTRL scalable. We show that by either decomposing the network into independent modules or learning the network in stages, we can make RTRL scale linearly with the number of parameters. Unlike prior scalable gradient estimation algorithms, such as UORO and Truncated-BPTT, our algorithms do not add noise or bias to the gradient estimate. Instead, they trade off the functional capacity of the network for computationally efficient learning. We demonstrate the effectiveness of our approach over Truncated-BPTT on a prediction benchmark inspired by animal learning and by doing policy evaluation of pre-trained policies for Atari 2600 games.

Because diffusion models have shown impressive performances in a number of tasks, such as image synthesis, there is a trend in recent works to prove (with certain assumptions) that these models have strong approximation capabilities. In this paper, we show that current diffusion models actually have an expressive bottleneck in backward denoising and some assumption made by existing theoretical guarantees is too strong. Based on this finding, we prove that diffusion models have unbounded errors in both local and global denoising. In light of our theoretical studies, we introduce soft mixture denoising (SMD), an expressive and efficient model for backward denoising. SMD not only permits diffusion models to well approximate any Gaussian mixture distributions in theory, but also is simple and efficient for implementation. Our experiments on multiple image datasets show that SMD significantly improves different types of diffusion models (e.g., DDPM), espeically in the situation of few backward iterations.

Video diffusion models have recently made great progress in generation quality, but are still limited by the high memory and computational requirements. This is because current video diffusion models often attempt to process high-dimensional videos directly. To tackle this issue, we propose content-motion latent diffusion model (CMD), a novel efficient extension of pretrained image diffusion models for video generation. Specifically, we propose an autoencoder that succinctly encodes a video as a combination of a content frame (like an image) and a low-dimensional motion latent representation. The former represents the common content, and the latter represents the underlying motion in the video, respectively. We generate the content frame by fine-tuning a pretrained image diffusion model, and we generate the motion latent representation by training a new lightweight diffusion model. A key innovation here is the design of a compact latent space that can directly utilizes a pretrained image diffusion model, which has not been done in previous latent video diffusion models. This leads to considerably better quality generation and reduced computational costs. For instance, CMD can sample a video 7.7$\times$ faster than prior approaches by generating a video of 512$\times$1024 resolution and length 16 in 3.1 seconds. Moreover, CMD achieves an FVD score of 212.7 on WebVid-10M, 27.3% better than the previous state-of-the-art of 292.4.

Due to privacy or patent concerns, a growing number of large models are released without granting access to their training data, making transferring their knowledge inefficient and problematic. In response, Data-Free Knowledge Distillation (DFKD) methods have emerged as direct solutions. However, simply adopting models derived from DFKD for real-world applications suffers significant performance degradation, due to the discrepancy between teachers' training data and real-world scenarios (student domain). The degradation stems from the portions of teachers' knowledge that are not applicable to the student domain. They are specific to the teacher domain and would undermine students' performance. Hence, selectively transferring teachers' appropriate knowledge becomes the primary challenge in DFKD. In this work, we propose a simple but effective method AuG-KD. It utilizes an uncertainty-guided and sample-specific anchor to align student-domain data with the teacher domain and leverages a generative method to progressively trade off the learning process between OOD knowledge distillation and domain-specific information learning via mixup learning. Extensive experiments in 3 datasets and 8 settings demonstrate the stability and superiority of our approach.

Measuring geometric similarity between high-dimensional network representations is a topic of longstanding interest to neuroscience and deep learning. Although many methods have been proposed, only a few works have rigorously analyzed their statistical efficiency or quantified estimator uncertainty in data-limited regimes. Here, we derive upper and lower bounds on the worst-case convergenceof standard estimators of shape distance—a measure of representational dissimilarity proposed by Williams et al. (2021). These bounds reveal the challenging nature of the problem in high-dimensional feature spaces. To overcome these challenges, we introduce a novel method-of-moments estimator with a tunable bias-variance tradeoff parameterized by an upper bound on bias. We show that this estimator achieves superior performance to standard estimators in simulation and on neural data, particularly in high-dimensional settings. Our theoretical work and estimator thus respectively define and dramatically expand the scope of neural data for which geometric similarity can be accurately measured.

In multi-task reinforcement learning (RL) under Markov decision processes (MDPs), the presence of shared latent structures among multiple MDPs has been shown to yield significant benefits to the sample efficiency compared to single-task RL. In this paper, we investigate whether such a benefit can extend to more general sequential decision making problems, such as partially observable MDPs (POMDPs) and more general predictive state representations (PSRs). The main challenge here is that the large and complex model space makes it hard to identify what types of common latent structure of multi-task PSRs can reduce the model complexity and improve sample efficiency. To this end, we posit a {\em joint model class} for tasks and use the notion of $\eta$-bracketing number to quantify its complexity; this number also serves as a general metric to capture the similarity of tasks and thus determines the benefit of multi-task over single-task RL. We first study upstream multi-task learning over PSRs, in which all tasks share the same observation and action spaces. We propose a provably efficient algorithm UMT-PSR for finding near-optimal policies for all PSRs, and demonstrate that the advantage of multi-task learning manifests if the joint model class of PSRs has a smaller $\eta$-bracketing number compared to that of individual single-task learning. We also provide several example multi-task PSRs with small $\eta$-bracketing numbers, which reap the benefits of multi-task learning. We further investigate downstream learning, in which the agent needs to learn a new target task that shares some commonalities with the upstream tasks via a similarity constraint. By exploiting the learned PSRs from the upstream, we develop a sample-efficient algorithm that provably finds a near-optimal policy. Upon specialization to the examples used to elucidate the $\eta$-bracketing numbers, our downstream results further highlight the benefit compared to directly learning the target PSR without upstream information. Ours is the first theoretical study that quantifies the benefits of multi-task RL with PSRs over its single-task counterpart.

Program synthesis aims to create accurate, executable code from natural language descriptions. This field has leveraged the power of reinforcement learning (RL) in conjunction with large language models (LLMs), significantly enhancing code generation capabilities. This integration focuses on directly optimizing functional correctness, transcending conventional supervised losses. While current literature predominantly favors policy-based algorithms, attributes of program synthesis suggest a natural compatibility with value-based methods. This stems from rich collection of off-policy programs developed by human programmers, and the straightforward verification of generated programs through automated unit testing (i.e. easily obtainable rewards in RL language). Diverging from the predominant use of policy-based algorithms, our work explores the applicability of value-based approaches, leading to the development of our $\mathcal{B}$-Coder (pronounced Bellman coder). Yet, training value-based methods presents challenges due to the enormous search space inherent to program synthesis. To this end, we propose an initialization protocol for RL agents utilizing pre-trained LMs and a conservative Bellman operator to reduce training complexities. Moreover, we demonstrate how to leverage the learned value functions as a dual strategy to post-process generated programs. Our empirical evaluations demonstrated $\mathcal{B}$-Coder's capability in achieving state-of-the-art performance compared with policy-based methods. Remarkably, this achievement is reached with minimal reward engineering effort, highlighting the effectiveness of value-based RL, independent of reward designs.

Normalization layers are ubiquitous in deep learning, greatly accelerating optimization. However, they also introduce many unexpected phenomena during training, for example, the Fast Equilibrium conjecture proposed by (Li et al.,2020), which states that the scale-invariant normalized network, when trained by SGD with $\eta$ learning rate and $\lambda$ weight decay, mixes to an equilibrium in $\tilde{O}(1/\eta\lambda)$ steps, as opposed to classical $e^{O(\eta^{-1})}$ mixing time. Recent works by Wang & Wang (2022); Li et al. (2022c) proved this conjecture under different sets of assumptions. This paper aims to answer the fast equilibrium conjecture in full generality by removing the non-generic assumptions of Wang & Wang (2022); Li et al. (2022c) that the minima are isolated, that the region near minima forms a unique basin, and that the set of minima is an analytic set. Our main technical contribution is to show that with probability close to 1, in exponential time trajectories will not escape the attracting basin containing its initial position.